2-phenyl-N-(5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-8-ylmethyl)pyrimidin-4-amine

C18H19N5 — CID 167859568

IUPAC2-phenyl-N-(5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-8-ylmethyl)pyrimidin-4-amine
SMILESc1ccc(-c2nccc(NCC3CCCn4ccnc43)n2)cc1
InChIInChI=1S/C18H19N5/c1-2-5-14(6-3-1)17-19-9-8-16(22-17)21-13-15-7-4-11-23-12-10-20-18(15)23/h1-3,5-6,8-10,12,15H,4,7,11,13H2,(H,19,21,22)
InChIKeyBPSFBKDXNBWIAK-UHFFFAOYSA-N
MW305.38 g/mol
LogP3.33
Rot. Bonds4

About 2-phenyl-N-(5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-8-ylmethyl)pyrimidin-4-amine

2-phenyl-N-(5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-8-ylmethyl)pyrimidin-4-amine (PubChem CID 167859568) has the molecular formula C18H19N5 and a molecular weight of 305.38 g/mol. Its IUPAC name is 2-phenyl-N-(5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-8-ylmethyl)pyrimidin-4-amine.

Molecular Properties

Compound Name2-phenyl-N-(5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-8-ylmethyl)pyrimidin-4-amine
PubChem CID167859568
Molecular FormulaC18H19N5
Molecular Weight305.38 g/mol
Exact Mass305.16
IUPAC Name2-phenyl-N-(5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-8-ylmethyl)pyrimidin-4-amine
SMILESc1ccc(-c2nccc(NCC3CCCn4ccnc43)n2)cc1
InChIInChI=1S/C18H19N5/c1-2-5-14(6-3-1)17-19-9-8-16(22-17)21-13-15-7-4-11-23-12-10-20-18(15)23/h1-3,5-6,8-10,12,15H,4,7,11,13H2,(H,19,21,22)
InChIKeyBPSFBKDXNBWIAK-UHFFFAOYSA-N
XLogP3.33
TPSA55.63 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500305.38
LogP ≤ 53.33
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-phenyl-N-(5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-8-ylmethyl)pyrimidin-4-amine?
The IUPAC name of 2-phenyl-N-(5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-8-ylmethyl)pyrimidin-4-amine (CID 167859568) is 2-phenyl-N-(5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-8-ylmethyl)pyrimidin-4-amine.
What is the SMILES notation for 2-phenyl-N-(5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-8-ylmethyl)pyrimidin-4-amine?
The canonical SMILES for 2-phenyl-N-(5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-8-ylmethyl)pyrimidin-4-amine is c1ccc(-c2nccc(NCC3CCCn4ccnc43)n2)cc1.
What is the InChIKey of 2-phenyl-N-(5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-8-ylmethyl)pyrimidin-4-amine?
The InChIKey is BPSFBKDXNBWIAK-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H19N5/c1-2-5-14(6-3-1)17-19-9-8-16(22-17)21-13-15-7-4-11-23-12-10-20-18(15)23/h1-3,5-6,8-10,12,15H,4,7,11,13H2,(H,19,21,22).
What are the key properties of 2-phenyl-N-(5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-8-ylmethyl)pyrimidin-4-amine?
2-phenyl-N-(5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-8-ylmethyl)pyrimidin-4-amine has a molecular weight of 305.38 g/mol, XLogP of 3.33, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-phenyl-N-(5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-8-ylmethyl)pyrimidin-4-amine is sourced from PubChem (CID 167859568), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).