(4-amino-2-methoxy-5H-pyrrolo[3,2-d]pyrimidin-7-yl)-[4-(pyrrolidin-1-ylmethyl)phenyl]methanol

C19H23N5O2 — CID 155019898

IUPAC(4-amino-2-methoxy-5H-pyrrolo[3,2-d]pyrimidin-7-yl)-[4-(pyrrolidin-1-ylmethyl)phenyl]methanol
SMILESCOc1nc(N)c2[nH]cc(C(O)c3ccc(CN4CCCC4)cc3)c2n1
InChIInChI=1S/C19H23N5O2/c1-26-19-22-15-14(10-21-16(15)18(20)23-19)17(25)13-6-4-12(5-7-13)11-24-8-2-3-9-24/h4-7,10,17,21,25H,2-3,8-9,11H2,1H3,(H2,20,22,23)
InChIKeyWFTRGJBYYNNFCD-UHFFFAOYSA-N
MW353.43 g/mol
LogP2.23
Rot. Bonds5

About (4-amino-2-methoxy-5H-pyrrolo[3,2-d]pyrimidin-7-yl)-[4-(pyrrolidin-1-ylmethyl)phenyl]methanol

(4-amino-2-methoxy-5H-pyrrolo[3,2-d]pyrimidin-7-yl)-[4-(pyrrolidin-1-ylmethyl)phenyl]methanol (PubChem CID 155019898) has the molecular formula C19H23N5O2 and a molecular weight of 353.43 g/mol. Its IUPAC name is (4-amino-2-methoxy-5H-pyrrolo[3,2-d]pyrimidin-7-yl)-[4-(pyrrolidin-1-ylmethyl)phenyl]methanol.

Molecular Properties

Compound Name(4-amino-2-methoxy-5H-pyrrolo[3,2-d]pyrimidin-7-yl)-[4-(pyrrolidin-1-ylmethyl)phenyl]methanol
PubChem CID155019898
Molecular FormulaC19H23N5O2
Molecular Weight353.43 g/mol
Exact Mass353.19
IUPAC Name(4-amino-2-methoxy-5H-pyrrolo[3,2-d]pyrimidin-7-yl)-[4-(pyrrolidin-1-ylmethyl)phenyl]methanol
SMILESCOc1nc(N)c2[nH]cc(C(O)c3ccc(CN4CCCC4)cc3)c2n1
InChIInChI=1S/C19H23N5O2/c1-26-19-22-15-14(10-21-16(15)18(20)23-19)17(25)13-6-4-12(5-7-13)11-24-8-2-3-9-24/h4-7,10,17,21,25H,2-3,8-9,11H2,1H3,(H2,20,22,23)
InChIKeyWFTRGJBYYNNFCD-UHFFFAOYSA-N
XLogP2.23
TPSA100.29 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500353.43
LogP ≤ 52.23
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

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Related Compounds

(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
2-butoxy-7-[[4-(pyrrolidin-1-ylmethyl)phenyl]methyl]-5H-pyrrolo[3,2-d]pyrimidin-4-amine;formic acid
CID 130194496
2-butoxy-7-[[4-[(2,6-dimethylmorpholin-4-yl)methyl]phenyl]methyl]-5H-pyrrolo[3,2-d]pyrimidin-4-amine
CID 118900052
1,4,7-tris[(4-methoxyphenyl)methyl]-1,4,7-triazecane
CID 66887441
7-[[4-[(3,3-difluoropyrrolidin-1-yl)methyl]phenyl]methyl]-2-propoxy-5H-pyrrolo[3,2-d]pyrimidin-4-amine
CID 155490027
(4-amino-2-butoxy-5H-cyclopenta[d]pyrimidin-7-yl)-[4-[(4-methylpiperazin-1-yl)methyl]phenyl]methanol
CID 157064204
8-amino-6-butoxy-3-[(1R)-1-[4-(pyrrolidin-1-ylmethyl)phenyl]ethyl]-1,4-dihydropyrimido[5,4-d]pyrimidin-2-one
CID 167226318
3-[4-(piperidin-1-ylmethyl)phenyl]butan-1-amine
CID 117368922
2-butoxy-8-[1-[4-(pyrrolidin-1-ylmethyl)phenyl]ethyl]-6,7-dihydro-5H-pteridin-4-amine
CID 126581989
[4-[bis[(4-methoxyphenyl)methyl]amino]-2-butoxyimidazo[2,1-f][1,2,4]triazin-7-yl]-[4-(piperidin-1-ylmethyl)phenyl]methanol
CID 157021982
6-amino-2-butoxy-9-[[4-(piperidin-1-ylmethyl)phenyl]methyl]-7H-purin-8-one
CID 25073642
1-[(4-propan-2-ylphenyl)methyl]azetidine
CID 58279197

Frequently Asked Questions

What is the IUPAC name of (4-amino-2-methoxy-5H-pyrrolo[3,2-d]pyrimidin-7-yl)-[4-(pyrrolidin-1-ylmethyl)phenyl]methanol?
The IUPAC name of (4-amino-2-methoxy-5H-pyrrolo[3,2-d]pyrimidin-7-yl)-[4-(pyrrolidin-1-ylmethyl)phenyl]methanol (CID 155019898) is (4-amino-2-methoxy-5H-pyrrolo[3,2-d]pyrimidin-7-yl)-[4-(pyrrolidin-1-ylmethyl)phenyl]methanol.
What is the SMILES notation for (4-amino-2-methoxy-5H-pyrrolo[3,2-d]pyrimidin-7-yl)-[4-(pyrrolidin-1-ylmethyl)phenyl]methanol?
The canonical SMILES for (4-amino-2-methoxy-5H-pyrrolo[3,2-d]pyrimidin-7-yl)-[4-(pyrrolidin-1-ylmethyl)phenyl]methanol is COc1nc(N)c2[nH]cc(C(O)c3ccc(CN4CCCC4)cc3)c2n1.
What is the InChIKey of (4-amino-2-methoxy-5H-pyrrolo[3,2-d]pyrimidin-7-yl)-[4-(pyrrolidin-1-ylmethyl)phenyl]methanol?
The InChIKey is WFTRGJBYYNNFCD-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H23N5O2/c1-26-19-22-15-14(10-21-16(15)18(20)23-19)17(25)13-6-4-12(5-7-13)11-24-8-2-3-9-24/h4-7,10,17,21,25H,2-3,8-9,11H2,1H3,(H2,20,22,23).
What are the key properties of (4-amino-2-methoxy-5H-pyrrolo[3,2-d]pyrimidin-7-yl)-[4-(pyrrolidin-1-ylmethyl)phenyl]methanol?
(4-amino-2-methoxy-5H-pyrrolo[3,2-d]pyrimidin-7-yl)-[4-(pyrrolidin-1-ylmethyl)phenyl]methanol has a molecular weight of 353.43 g/mol, XLogP of 2.23, 5 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (4-amino-2-methoxy-5H-pyrrolo[3,2-d]pyrimidin-7-yl)-[4-(pyrrolidin-1-ylmethyl)phenyl]methanol is sourced from PubChem (CID 155019898), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).