4-(2-methylfuran-3-yl)-N-[3-(4-methylpiperazin-1-yl)propyl]-5-pyridin-4-ylpyrimidin-2-amine

C22H28N6O — CID 92606418

IUPAC4-(2-methylfuran-3-yl)-N-[3-(4-methylpiperazin-1-yl)propyl]-5-pyridin-4-ylpyrimidin-2-amine
SMILESCc1occc1-c1nc(NCCCN2CCN(C)CC2)ncc1-c1ccncc1
InChIInChI=1S/C22H28N6O/c1-17-19(6-15-29-17)21-20(18-4-8-23-9-5-18)16-25-22(26-21)24-7-3-10-28-13-11-27(2)12-14-28/h4-6,8-9,15-16H,3,7,10-14H2,1-2H3,(H,24,25,26)
InChIKeyBUUOIPIVOULQKD-UHFFFAOYSA-N
MW392.51 g/mol
LogP3.16
Rot. Bonds7

About 4-(2-methylfuran-3-yl)-N-[3-(4-methylpiperazin-1-yl)propyl]-5-pyridin-4-ylpyrimidin-2-amine

4-(2-methylfuran-3-yl)-N-[3-(4-methylpiperazin-1-yl)propyl]-5-pyridin-4-ylpyrimidin-2-amine (PubChem CID 92606418) has the molecular formula C22H28N6O and a molecular weight of 392.51 g/mol. Its IUPAC name is 4-(2-methylfuran-3-yl)-N-[3-(4-methylpiperazin-1-yl)propyl]-5-pyridin-4-ylpyrimidin-2-amine.

Molecular Properties

Compound Name4-(2-methylfuran-3-yl)-N-[3-(4-methylpiperazin-1-yl)propyl]-5-pyridin-4-ylpyrimidin-2-amine
PubChem CID92606418
Molecular FormulaC22H28N6O
Molecular Weight392.51 g/mol
Exact Mass392.23
IUPAC Name4-(2-methylfuran-3-yl)-N-[3-(4-methylpiperazin-1-yl)propyl]-5-pyridin-4-ylpyrimidin-2-amine
SMILESCc1occc1-c1nc(NCCCN2CCN(C)CC2)ncc1-c1ccncc1
InChIInChI=1S/C22H28N6O/c1-17-19(6-15-29-17)21-20(18-4-8-23-9-5-18)16-25-22(26-21)24-7-3-10-28-13-11-27(2)12-14-28/h4-6,8-9,15-16H,3,7,10-14H2,1-2H3,(H,24,25,26)
InChIKeyBUUOIPIVOULQKD-UHFFFAOYSA-N
XLogP3.16
TPSA70.32 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds7
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500392.51
LogP ≤ 53.16
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

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

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Related Compounds

CID 11716665
CID 11716665
CID 11220580
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CID 146681130
CID 146681130
CID 72202249
CID 72202249
CID 141492943
CID 141492943
CID 141492999
CID 141492999
CID 141493000
CID 141493000
CID 44520954
CID 44520954
CID 44520967
CID 44520967
CID 44520971
CID 44520971
CID 44520972
CID 44520972
CID 44520973
CID 44520973

Frequently Asked Questions

What is the IUPAC name of 4-(2-methylfuran-3-yl)-N-[3-(4-methylpiperazin-1-yl)propyl]-5-pyridin-4-ylpyrimidin-2-amine?
The IUPAC name of 4-(2-methylfuran-3-yl)-N-[3-(4-methylpiperazin-1-yl)propyl]-5-pyridin-4-ylpyrimidin-2-amine (CID 92606418) is 4-(2-methylfuran-3-yl)-N-[3-(4-methylpiperazin-1-yl)propyl]-5-pyridin-4-ylpyrimidin-2-amine.
What is the SMILES notation for 4-(2-methylfuran-3-yl)-N-[3-(4-methylpiperazin-1-yl)propyl]-5-pyridin-4-ylpyrimidin-2-amine?
The canonical SMILES for 4-(2-methylfuran-3-yl)-N-[3-(4-methylpiperazin-1-yl)propyl]-5-pyridin-4-ylpyrimidin-2-amine is Cc1occc1-c1nc(NCCCN2CCN(C)CC2)ncc1-c1ccncc1.
What is the InChIKey of 4-(2-methylfuran-3-yl)-N-[3-(4-methylpiperazin-1-yl)propyl]-5-pyridin-4-ylpyrimidin-2-amine?
The InChIKey is BUUOIPIVOULQKD-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H28N6O/c1-17-19(6-15-29-17)21-20(18-4-8-23-9-5-18)16-25-22(26-21)24-7-3-10-28-13-11-27(2)12-14-28/h4-6,8-9,15-16H,3,7,10-14H2,1-2H3,(H,24,25,26).
What are the key properties of 4-(2-methylfuran-3-yl)-N-[3-(4-methylpiperazin-1-yl)propyl]-5-pyridin-4-ylpyrimidin-2-amine?
4-(2-methylfuran-3-yl)-N-[3-(4-methylpiperazin-1-yl)propyl]-5-pyridin-4-ylpyrimidin-2-amine has a molecular weight of 392.51 g/mol, XLogP of 3.16, 7 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(2-methylfuran-3-yl)-N-[3-(4-methylpiperazin-1-yl)propyl]-5-pyridin-4-ylpyrimidin-2-amine is sourced from PubChem (CID 92606418), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).