(4-amino-2-butoxy-5H-cyclopenta[d]pyrimidin-7-yl)-[4-[(4-methylpiperazin-1-yl)methyl]phenyl]methanol

C24H33N5O2 — CID 157064204

IUPAC(4-amino-2-butoxy-5H-cyclopenta[d]pyrimidin-7-yl)-[4-[(4-methylpiperazin-1-yl)methyl]phenyl]methanol
SMILESCCCCOc1nc(N)c2c(n1)C(C(O)c1ccc(CN3CCN(C)CC3)cc1)=CC2
InChIInChI=1S/C24H33N5O2/c1-3-4-15-31-24-26-21-19(9-10-20(21)23(25)27-24)22(30)18-7-5-17(6-8-18)16-29-13-11-28(2)12-14-29/h5-9,22,30H,3-4,10-16H2,1-2H3,(H2,25,26,27)
InChIKeyMYDFGCHHJDFYEQ-UHFFFAOYSA-N
MW423.56 g/mol
LogP2.66
Rot. Bonds8

About (4-amino-2-butoxy-5H-cyclopenta[d]pyrimidin-7-yl)-[4-[(4-methylpiperazin-1-yl)methyl]phenyl]methanol

(4-amino-2-butoxy-5H-cyclopenta[d]pyrimidin-7-yl)-[4-[(4-methylpiperazin-1-yl)methyl]phenyl]methanol (PubChem CID 157064204) has the molecular formula C24H33N5O2 and a molecular weight of 423.56 g/mol. Its IUPAC name is (4-amino-2-butoxy-5H-cyclopenta[d]pyrimidin-7-yl)-[4-[(4-methylpiperazin-1-yl)methyl]phenyl]methanol.

Molecular Properties

Compound Name(4-amino-2-butoxy-5H-cyclopenta[d]pyrimidin-7-yl)-[4-[(4-methylpiperazin-1-yl)methyl]phenyl]methanol
PubChem CID157064204
Molecular FormulaC24H33N5O2
Molecular Weight423.56 g/mol
Exact Mass423.26
IUPAC Name(4-amino-2-butoxy-5H-cyclopenta[d]pyrimidin-7-yl)-[4-[(4-methylpiperazin-1-yl)methyl]phenyl]methanol
SMILESCCCCOc1nc(N)c2c(n1)C(C(O)c1ccc(CN3CCN(C)CC3)cc1)=CC2
InChIInChI=1S/C24H33N5O2/c1-3-4-15-31-24-26-21-19(9-10-20(21)23(25)27-24)22(30)18-7-5-17(6-8-18)16-29-13-11-28(2)12-14-29/h5-9,22,30H,3-4,10-16H2,1-2H3,(H2,25,26,27)
InChIKeyMYDFGCHHJDFYEQ-UHFFFAOYSA-N
XLogP2.66
TPSA87.74 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds8
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500423.56
LogP ≤ 52.66
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

(4-amino-2-butoxy-5H-cyclopenta[d]pyrimidin-7-yl)-[4-[(3-fluoropyrrolidin-1-yl)methyl]phenyl]methanol
CID 159665855
(4-amino-2-butoxy-5H-pyrrolo[3,2-d]pyrimidin-7-yl)-[4-[(4-methyl-1,4-diazepan-1-yl)methyl]phenyl]methanol
CID 137472287
4-amino-2-butoxy-7-[[4-[(4-methylpiperazin-1-yl)methyl]phenyl]methyl]-5H-pyrrolo[3,2-d]pyrimidine-6-carbonitrile;hydrochloride
CID 130447070
2-butoxy-7-[(2-ethyl-3,4-dihydro-1H-isoquinolin-7-yl)methyl]-5H-cyclopenta[d]pyrimidin-4-amine
CID 158570682
1-methyl-4-[(4-pentoxyphenyl)methyl]piperazine
CID 112798089
8-amino-6-butoxy-3-[(1R)-1-[4-(pyrrolidin-1-ylmethyl)phenyl]ethyl]-1,4-dihydropyrimido[5,4-d]pyrimidin-2-one
CID 167226318
2-butoxy-8-[1-[4-(pyrrolidin-1-ylmethyl)phenyl]ethyl]-6,7-dihydro-5H-pteridin-4-amine
CID 126581989
4-amino-2-butoxy-7-[[4-[(4-methylpiperazin-1-yl)methyl]phenyl]methyl]-5H-cyclopenta[d]pyrimidine-6-carbonitrile;4-amino-2-butoxy-7-[[4-(pyrrolidin-1-ylmethyl)phenyl]methyl]-5H-cyclopenta[d]pyrimidine-6-carboxamide;2-butoxy-7-[(2-ethyl-3,4-dihydro-1H-isoquinolin-7-yl)methyl]-5H-cyclopenta[d]pyrimidin-4-amine;2-butoxy-7-[(2-methyl-3,4-dihydro-1H-isoquinolin-7-yl)methyl]-5H-cyclopenta[d]pyrimidin-4-amine;2-butoxy-7-(1,2,3,4-tetrahydroisoquinolin-7-ylmethyl)-5H-cyclopenta[d]pyrimidin-4-amine
CID 167562596
4-amino-2-butoxy-7-[[4-(pyrrolidin-1-ylmethyl)phenyl]methyl]pyrrolo[2,3-d]pyrimidine-6-carbaldehyde
CID 146187717
4-amino-2-butoxy-9-[[4-(pyrrolidin-1-ylmethyl)phenyl]methyl]-7,8-dihydro-5H-pyrimido[4,5-b][1,4]diazepin-6-one;1-methylpyrrolidine;pentane
CID 144997159
4-amino-2-butoxy-8-[[4-[4-(pyrrolidin-1-ylmethyl)phenyl]phenyl]methyl]-5,7-dihydropyrido[2,3-d]pyrimidin-6-one
CID 147112630
4-amino-2-butoxy-7-[[4-[5-(pyrrolidin-1-ylmethyl)-2-pyridinyl]phenyl]methyl]-5H-pyrrolo[2,3-d]pyrimidin-6-one
CID 58234497

Frequently Asked Questions

What is the IUPAC name of (4-amino-2-butoxy-5H-cyclopenta[d]pyrimidin-7-yl)-[4-[(4-methylpiperazin-1-yl)methyl]phenyl]methanol?
The IUPAC name of (4-amino-2-butoxy-5H-cyclopenta[d]pyrimidin-7-yl)-[4-[(4-methylpiperazin-1-yl)methyl]phenyl]methanol (CID 157064204) is (4-amino-2-butoxy-5H-cyclopenta[d]pyrimidin-7-yl)-[4-[(4-methylpiperazin-1-yl)methyl]phenyl]methanol.
What is the SMILES notation for (4-amino-2-butoxy-5H-cyclopenta[d]pyrimidin-7-yl)-[4-[(4-methylpiperazin-1-yl)methyl]phenyl]methanol?
The canonical SMILES for (4-amino-2-butoxy-5H-cyclopenta[d]pyrimidin-7-yl)-[4-[(4-methylpiperazin-1-yl)methyl]phenyl]methanol is CCCCOc1nc(N)c2c(n1)C(C(O)c1ccc(CN3CCN(C)CC3)cc1)=CC2.
What is the InChIKey of (4-amino-2-butoxy-5H-cyclopenta[d]pyrimidin-7-yl)-[4-[(4-methylpiperazin-1-yl)methyl]phenyl]methanol?
The InChIKey is MYDFGCHHJDFYEQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H33N5O2/c1-3-4-15-31-24-26-21-19(9-10-20(21)23(25)27-24)22(30)18-7-5-17(6-8-18)16-29-13-11-28(2)12-14-29/h5-9,22,30H,3-4,10-16H2,1-2H3,(H2,25,26,27).
What are the key properties of (4-amino-2-butoxy-5H-cyclopenta[d]pyrimidin-7-yl)-[4-[(4-methylpiperazin-1-yl)methyl]phenyl]methanol?
(4-amino-2-butoxy-5H-cyclopenta[d]pyrimidin-7-yl)-[4-[(4-methylpiperazin-1-yl)methyl]phenyl]methanol has a molecular weight of 423.56 g/mol, XLogP of 2.66, 8 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for (4-amino-2-butoxy-5H-cyclopenta[d]pyrimidin-7-yl)-[4-[(4-methylpiperazin-1-yl)methyl]phenyl]methanol is sourced from PubChem (CID 157064204), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).