N-[(2S)-2-furo[3,2-b]pyridin-7-ylpropyl]-6-[2-(methylamino)pyrimidin-5-yl]pyrimidin-4-amine

C19H19N7O — CID 121440455

IUPACN-[(2S)-2-furo[3,2-b]pyridin-7-ylpropyl]-6-[2-(methylamino)pyrimidin-5-yl]pyrimidin-4-amine
SMILESCNc1ncc(-c2cc(NC[C@@H](C)c3ccnc4ccoc34)ncn2)cn1
InChIInChI=1S/C19H19N7O/c1-12(14-3-5-21-15-4-6-27-18(14)15)8-22-17-7-16(25-11-26-17)13-9-23-19(20-2)24-10-13/h3-7,9-12H,8H2,1-2H3,(H,20,23,24)(H,22,25,26)/t12-/m1/s1
InChIKeyNOMQNWSKPSGVFB-GFCCVEGCSA-N
MW361.41 g/mol
LogP3.33
Rot. Bonds6

About N-[(2S)-2-furo[3,2-b]pyridin-7-ylpropyl]-6-[2-(methylamino)pyrimidin-5-yl]pyrimidin-4-amine

N-[(2S)-2-furo[3,2-b]pyridin-7-ylpropyl]-6-[2-(methylamino)pyrimidin-5-yl]pyrimidin-4-amine (PubChem CID 121440455) has the molecular formula C19H19N7O and a molecular weight of 361.41 g/mol. Its IUPAC name is N-[(2S)-2-furo[3,2-b]pyridin-7-ylpropyl]-6-[2-(methylamino)pyrimidin-5-yl]pyrimidin-4-amine.

Molecular Properties

Compound NameN-[(2S)-2-furo[3,2-b]pyridin-7-ylpropyl]-6-[2-(methylamino)pyrimidin-5-yl]pyrimidin-4-amine
PubChem CID121440455
Molecular FormulaC19H19N7O
Molecular Weight361.41 g/mol
Exact Mass361.17
IUPAC NameN-[(2S)-2-furo[3,2-b]pyridin-7-ylpropyl]-6-[2-(methylamino)pyrimidin-5-yl]pyrimidin-4-amine
SMILESCNc1ncc(-c2cc(NC[C@@H](C)c3ccnc4ccoc34)ncn2)cn1
InChIInChI=1S/C19H19N7O/c1-12(14-3-5-21-15-4-6-27-18(14)15)8-22-17-7-16(25-11-26-17)13-9-23-19(20-2)24-10-13/h3-7,9-12H,8H2,1-2H3,(H,20,23,24)(H,22,25,26)/t12-/m1/s1
InChIKeyNOMQNWSKPSGVFB-GFCCVEGCSA-N
XLogP3.33
TPSA101.65 Ų
H-Bond Donors2
H-Bond Acceptors8
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500361.41
LogP ≤ 53.33
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 108

Analyze N-[(2S)-2-furo[3,2-b]pyridin-7-ylpropyl]-6-[2-(methylamino)pyrimidin-5-yl]pyrimidin-4-amine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of N-[(2S)-2-furo[3,2-b]pyridin-7-ylpropyl]-6-[2-(methylamino)pyrimidin-5-yl]pyrimidin-4-amine?
The IUPAC name of N-[(2S)-2-furo[3,2-b]pyridin-7-ylpropyl]-6-[2-(methylamino)pyrimidin-5-yl]pyrimidin-4-amine (CID 121440455) is N-[(2S)-2-furo[3,2-b]pyridin-7-ylpropyl]-6-[2-(methylamino)pyrimidin-5-yl]pyrimidin-4-amine.
What is the SMILES notation for N-[(2S)-2-furo[3,2-b]pyridin-7-ylpropyl]-6-[2-(methylamino)pyrimidin-5-yl]pyrimidin-4-amine?
The canonical SMILES for N-[(2S)-2-furo[3,2-b]pyridin-7-ylpropyl]-6-[2-(methylamino)pyrimidin-5-yl]pyrimidin-4-amine is CNc1ncc(-c2cc(NC[C@@H](C)c3ccnc4ccoc34)ncn2)cn1.
What is the InChIKey of N-[(2S)-2-furo[3,2-b]pyridin-7-ylpropyl]-6-[2-(methylamino)pyrimidin-5-yl]pyrimidin-4-amine?
The InChIKey is NOMQNWSKPSGVFB-GFCCVEGCSA-N. The full InChI is InChI=1S/C19H19N7O/c1-12(14-3-5-21-15-4-6-27-18(14)15)8-22-17-7-16(25-11-26-17)13-9-23-19(20-2)24-10-13/h3-7,9-12H,8H2,1-2H3,(H,20,23,24)(H,22,25,26)/t12-/m1/s1.
What are the key properties of N-[(2S)-2-furo[3,2-b]pyridin-7-ylpropyl]-6-[2-(methylamino)pyrimidin-5-yl]pyrimidin-4-amine?
N-[(2S)-2-furo[3,2-b]pyridin-7-ylpropyl]-6-[2-(methylamino)pyrimidin-5-yl]pyrimidin-4-amine has a molecular weight of 361.41 g/mol, XLogP of 3.33, 6 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2S)-2-furo[3,2-b]pyridin-7-ylpropyl]-6-[2-(methylamino)pyrimidin-5-yl]pyrimidin-4-amine is sourced from PubChem (CID 121440455), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).