2,4-diamino-6-[2-(3-piperidin-1-ylpropoxy)phenyl]pyrimidine-5-carbonitrile

C19H24N6O — CID 169397669

IUPAC2,4-diamino-6-[2-(3-piperidin-1-ylpropoxy)phenyl]pyrimidine-5-carbonitrile
SMILESN#Cc1c(N)nc(N)nc1-c1ccccc1OCCCN1CCCCC1
InChIInChI=1S/C19H24N6O/c20-13-15-17(23-19(22)24-18(15)21)14-7-2-3-8-16(14)26-12-6-11-25-9-4-1-5-10-25/h2-3,7-8H,1,4-6,9-12H2,(H4,21,22,23,24)
InChIKeyJWTKMGRXQYVOGV-UHFFFAOYSA-N
MW352.44 g/mol
LogP2.43
Rot. Bonds6

About 2,4-diamino-6-[2-(3-piperidin-1-ylpropoxy)phenyl]pyrimidine-5-carbonitrile

2,4-diamino-6-[2-(3-piperidin-1-ylpropoxy)phenyl]pyrimidine-5-carbonitrile (PubChem CID 169397669) has the molecular formula C19H24N6O and a molecular weight of 352.44 g/mol. Its IUPAC name is 2,4-diamino-6-[2-(3-piperidin-1-ylpropoxy)phenyl]pyrimidine-5-carbonitrile.

Molecular Properties

Compound Name2,4-diamino-6-[2-(3-piperidin-1-ylpropoxy)phenyl]pyrimidine-5-carbonitrile
PubChem CID169397669
Molecular FormulaC19H24N6O
Molecular Weight352.44 g/mol
Exact Mass352.20
IUPAC Name2,4-diamino-6-[2-(3-piperidin-1-ylpropoxy)phenyl]pyrimidine-5-carbonitrile
SMILESN#Cc1c(N)nc(N)nc1-c1ccccc1OCCCN1CCCCC1
InChIInChI=1S/C19H24N6O/c20-13-15-17(23-19(22)24-18(15)21)14-7-2-3-8-16(14)26-12-6-11-25-9-4-1-5-10-25/h2-3,7-8H,1,4-6,9-12H2,(H4,21,22,23,24)
InChIKeyJWTKMGRXQYVOGV-UHFFFAOYSA-N
XLogP2.43
TPSA114.08 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500352.44
LogP ≤ 52.43
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

2,4-diamino-6-[3-(3-piperidin-1-ylpropoxy)phenyl]pyrimidine-5-carbonitrile
CID 169397675
2,4-diamino-6-(2-hexoxyphenyl)pyrimidine-5-carbonitrile
CID 169397618
2,4-diamino-6-[2-(cyclopropylmethoxy)phenyl]pyrimidine-5-carbonitrile
CID 169396461
2,4-diamino-6-(2-phenylmethoxyphenyl)pyrimidine-5-carbonitrile
CID 169396055
2,4-diamino-6-[3-(2-piperidin-1-ylethoxy)phenyl]pyrimidine-5-carbonitrile
CID 169397668
2,4-diamino-6-[2-[(3-methylphenyl)methoxy]phenyl]pyrimidine-5-carbonitrile
CID 169397341
2,4-diamino-6-(2-chlorophenyl)pyrimidine-5-carbonitrile
CID 169398559
2,4-diamino-6-[2-[(4-nitrophenyl)methoxy]phenyl]pyrimidine-5-carbonitrile
CID 169397457
2,4-diamino-6-[2-[(3-methoxyphenyl)methoxy]phenyl]pyrimidine-5-carbonitrile
CID 169397344
2,4-diamino-6-[2-(1,1,2,2-tetrafluoroethoxy)phenyl]pyrimidine-5-carbonitrile
CID 169398772
2,4-diamino-6-(2-pyridin-3-yloxyphenyl)pyrimidine-5-carbonitrile
CID 169397318
1-[3-(2-chlorophenoxy)propyl]piperidine
CID 2058914

Frequently Asked Questions

What is the IUPAC name of 2,4-diamino-6-[2-(3-piperidin-1-ylpropoxy)phenyl]pyrimidine-5-carbonitrile?
The IUPAC name of 2,4-diamino-6-[2-(3-piperidin-1-ylpropoxy)phenyl]pyrimidine-5-carbonitrile (CID 169397669) is 2,4-diamino-6-[2-(3-piperidin-1-ylpropoxy)phenyl]pyrimidine-5-carbonitrile.
What is the SMILES notation for 2,4-diamino-6-[2-(3-piperidin-1-ylpropoxy)phenyl]pyrimidine-5-carbonitrile?
The canonical SMILES for 2,4-diamino-6-[2-(3-piperidin-1-ylpropoxy)phenyl]pyrimidine-5-carbonitrile is N#Cc1c(N)nc(N)nc1-c1ccccc1OCCCN1CCCCC1.
What is the InChIKey of 2,4-diamino-6-[2-(3-piperidin-1-ylpropoxy)phenyl]pyrimidine-5-carbonitrile?
The InChIKey is JWTKMGRXQYVOGV-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H24N6O/c20-13-15-17(23-19(22)24-18(15)21)14-7-2-3-8-16(14)26-12-6-11-25-9-4-1-5-10-25/h2-3,7-8H,1,4-6,9-12H2,(H4,21,22,23,24).
What are the key properties of 2,4-diamino-6-[2-(3-piperidin-1-ylpropoxy)phenyl]pyrimidine-5-carbonitrile?
2,4-diamino-6-[2-(3-piperidin-1-ylpropoxy)phenyl]pyrimidine-5-carbonitrile has a molecular weight of 352.44 g/mol, XLogP of 2.43, 6 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2,4-diamino-6-[2-(3-piperidin-1-ylpropoxy)phenyl]pyrimidine-5-carbonitrile is sourced from PubChem (CID 169397669), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).