N-[(2-pyrrolidin-1-ylpyrimidin-5-yl)methyl]-1-(5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-8-yl)methanamine

C17H24N6 — CID 71929231

IUPACN-[(2-pyrrolidin-1-ylpyrimidin-5-yl)methyl]-1-(5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-8-yl)methanamine
SMILESc1cn2c(n1)C(CNCc1cnc(N3CCCC3)nc1)CCC2
InChIInChI=1S/C17H24N6/c1-2-7-23(6-1)17-20-11-14(12-21-17)10-18-13-15-4-3-8-22-9-5-19-16(15)22/h5,9,11-12,15,18H,1-4,6-8,10,13H2
InChIKeyVPQFRZVNMGUEQT-UHFFFAOYSA-N
MW312.42 g/mol
LogP1.94
Rot. Bonds5

About N-[(2-pyrrolidin-1-ylpyrimidin-5-yl)methyl]-1-(5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-8-yl)methanamine

N-[(2-pyrrolidin-1-ylpyrimidin-5-yl)methyl]-1-(5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-8-yl)methanamine (PubChem CID 71929231) has the molecular formula C17H24N6 and a molecular weight of 312.42 g/mol. Its IUPAC name is N-[(2-pyrrolidin-1-ylpyrimidin-5-yl)methyl]-1-(5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-8-yl)methanamine.

Molecular Properties

Compound NameN-[(2-pyrrolidin-1-ylpyrimidin-5-yl)methyl]-1-(5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-8-yl)methanamine
PubChem CID71929231
Molecular FormulaC17H24N6
Molecular Weight312.42 g/mol
Exact Mass312.21
IUPAC NameN-[(2-pyrrolidin-1-ylpyrimidin-5-yl)methyl]-1-(5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-8-yl)methanamine
SMILESc1cn2c(n1)C(CNCc1cnc(N3CCCC3)nc1)CCC2
InChIInChI=1S/C17H24N6/c1-2-7-23(6-1)17-20-11-14(12-21-17)10-18-13-15-4-3-8-22-9-5-19-16(15)22/h5,9,11-12,15,18H,1-4,6-8,10,13H2
InChIKeyVPQFRZVNMGUEQT-UHFFFAOYSA-N
XLogP1.94
TPSA58.87 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500312.42
LogP ≤ 51.94
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of N-[(2-pyrrolidin-1-ylpyrimidin-5-yl)methyl]-1-(5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-8-yl)methanamine?
The IUPAC name of N-[(2-pyrrolidin-1-ylpyrimidin-5-yl)methyl]-1-(5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-8-yl)methanamine (CID 71929231) is N-[(2-pyrrolidin-1-ylpyrimidin-5-yl)methyl]-1-(5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-8-yl)methanamine.
What is the SMILES notation for N-[(2-pyrrolidin-1-ylpyrimidin-5-yl)methyl]-1-(5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-8-yl)methanamine?
The canonical SMILES for N-[(2-pyrrolidin-1-ylpyrimidin-5-yl)methyl]-1-(5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-8-yl)methanamine is c1cn2c(n1)C(CNCc1cnc(N3CCCC3)nc1)CCC2.
What is the InChIKey of N-[(2-pyrrolidin-1-ylpyrimidin-5-yl)methyl]-1-(5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-8-yl)methanamine?
The InChIKey is VPQFRZVNMGUEQT-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H24N6/c1-2-7-23(6-1)17-20-11-14(12-21-17)10-18-13-15-4-3-8-22-9-5-19-16(15)22/h5,9,11-12,15,18H,1-4,6-8,10,13H2.
What are the key properties of N-[(2-pyrrolidin-1-ylpyrimidin-5-yl)methyl]-1-(5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-8-yl)methanamine?
N-[(2-pyrrolidin-1-ylpyrimidin-5-yl)methyl]-1-(5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-8-yl)methanamine has a molecular weight of 312.42 g/mol, XLogP of 1.94, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2-pyrrolidin-1-ylpyrimidin-5-yl)methyl]-1-(5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-8-yl)methanamine is sourced from PubChem (CID 71929231), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).