7-[2-(4-propan-2-ylpiperazin-1-yl)pyrimidin-5-yl]pyrido[4,3-d]pyrimidin-2-amine

C18H22N8 — CID 175885826

IUPAC7-[2-(4-propan-2-ylpiperazin-1-yl)pyrimidin-5-yl]pyrido[4,3-d]pyrimidin-2-amine
SMILESCC(C)N1CCN(c2ncc(-c3cc4nc(N)ncc4cn3)cn2)CC1
InChIInChI=1S/C18H22N8/c1-12(2)25-3-5-26(6-4-25)18-22-10-13(11-23-18)15-7-16-14(8-20-15)9-21-17(19)24-16/h7-12H,3-6H2,1-2H3,(H2,19,21,24)
InChIKeyLGRUEEDCSPCRSG-UHFFFAOYSA-N
MW350.43 g/mol
LogP1.59
Rot. Bonds3

About 7-[2-(4-propan-2-ylpiperazin-1-yl)pyrimidin-5-yl]pyrido[4,3-d]pyrimidin-2-amine

7-[2-(4-propan-2-ylpiperazin-1-yl)pyrimidin-5-yl]pyrido[4,3-d]pyrimidin-2-amine (PubChem CID 175885826) has the molecular formula C18H22N8 and a molecular weight of 350.43 g/mol. Its IUPAC name is 7-[2-(4-propan-2-ylpiperazin-1-yl)pyrimidin-5-yl]pyrido[4,3-d]pyrimidin-2-amine.

Molecular Properties

Compound Name7-[2-(4-propan-2-ylpiperazin-1-yl)pyrimidin-5-yl]pyrido[4,3-d]pyrimidin-2-amine
PubChem CID175885826
Molecular FormulaC18H22N8
Molecular Weight350.43 g/mol
Exact Mass350.20
IUPAC Name7-[2-(4-propan-2-ylpiperazin-1-yl)pyrimidin-5-yl]pyrido[4,3-d]pyrimidin-2-amine
SMILESCC(C)N1CCN(c2ncc(-c3cc4nc(N)ncc4cn3)cn2)CC1
InChIInChI=1S/C18H22N8/c1-12(2)25-3-5-26(6-4-25)18-22-10-13(11-23-18)15-7-16-14(8-20-15)9-21-17(19)24-16/h7-12H,3-6H2,1-2H3,(H2,19,21,24)
InChIKeyLGRUEEDCSPCRSG-UHFFFAOYSA-N
XLogP1.59
TPSA96.95 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds3
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500350.43
LogP ≤ 51.59
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

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Frequently Asked Questions

What is the IUPAC name of 7-[2-(4-propan-2-ylpiperazin-1-yl)pyrimidin-5-yl]pyrido[4,3-d]pyrimidin-2-amine?
The IUPAC name of 7-[2-(4-propan-2-ylpiperazin-1-yl)pyrimidin-5-yl]pyrido[4,3-d]pyrimidin-2-amine (CID 175885826) is 7-[2-(4-propan-2-ylpiperazin-1-yl)pyrimidin-5-yl]pyrido[4,3-d]pyrimidin-2-amine.
What is the SMILES notation for 7-[2-(4-propan-2-ylpiperazin-1-yl)pyrimidin-5-yl]pyrido[4,3-d]pyrimidin-2-amine?
The canonical SMILES for 7-[2-(4-propan-2-ylpiperazin-1-yl)pyrimidin-5-yl]pyrido[4,3-d]pyrimidin-2-amine is CC(C)N1CCN(c2ncc(-c3cc4nc(N)ncc4cn3)cn2)CC1.
What is the InChIKey of 7-[2-(4-propan-2-ylpiperazin-1-yl)pyrimidin-5-yl]pyrido[4,3-d]pyrimidin-2-amine?
The InChIKey is LGRUEEDCSPCRSG-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H22N8/c1-12(2)25-3-5-26(6-4-25)18-22-10-13(11-23-18)15-7-16-14(8-20-15)9-21-17(19)24-16/h7-12H,3-6H2,1-2H3,(H2,19,21,24).
What are the key properties of 7-[2-(4-propan-2-ylpiperazin-1-yl)pyrimidin-5-yl]pyrido[4,3-d]pyrimidin-2-amine?
7-[2-(4-propan-2-ylpiperazin-1-yl)pyrimidin-5-yl]pyrido[4,3-d]pyrimidin-2-amine has a molecular weight of 350.43 g/mol, XLogP of 1.59, 3 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 7-[2-(4-propan-2-ylpiperazin-1-yl)pyrimidin-5-yl]pyrido[4,3-d]pyrimidin-2-amine is sourced from PubChem (CID 175885826), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).