7-ethyl-4-(4-methylpiperazin-1-yl)pyrido[3,2-d]pyrimidin-2-amine

C14H20N6 — CID 71525586

IUPAC7-ethyl-4-(4-methylpiperazin-1-yl)pyrido[3,2-d]pyrimidin-2-amine
SMILESCCc1cnc2c(N3CCN(C)CC3)nc(N)nc2c1
InChIInChI=1S/C14H20N6/c1-3-10-8-11-12(16-9-10)13(18-14(15)17-11)20-6-4-19(2)5-7-20/h8-9H,3-7H2,1-2H3,(H2,15,17,18)
InChIKeyLRLYLQHAQNEFGV-UHFFFAOYSA-N
MW272.36 g/mol
LogP0.92
Rot. Bonds2

About 7-ethyl-4-(4-methylpiperazin-1-yl)pyrido[3,2-d]pyrimidin-2-amine

7-ethyl-4-(4-methylpiperazin-1-yl)pyrido[3,2-d]pyrimidin-2-amine (PubChem CID 71525586) has the molecular formula C14H20N6 and a molecular weight of 272.36 g/mol. Its IUPAC name is 7-ethyl-4-(4-methylpiperazin-1-yl)pyrido[3,2-d]pyrimidin-2-amine.

Molecular Properties

Compound Name7-ethyl-4-(4-methylpiperazin-1-yl)pyrido[3,2-d]pyrimidin-2-amine
PubChem CID71525586
Molecular FormulaC14H20N6
Molecular Weight272.36 g/mol
Exact Mass272.17
IUPAC Name7-ethyl-4-(4-methylpiperazin-1-yl)pyrido[3,2-d]pyrimidin-2-amine
SMILESCCc1cnc2c(N3CCN(C)CC3)nc(N)nc2c1
InChIInChI=1S/C14H20N6/c1-3-10-8-11-12(16-9-10)13(18-14(15)17-11)20-6-4-19(2)5-7-20/h8-9H,3-7H2,1-2H3,(H2,15,17,18)
InChIKeyLRLYLQHAQNEFGV-UHFFFAOYSA-N
XLogP0.92
TPSA71.17 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500272.36
LogP ≤ 50.92
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 7-ethyl-4-(4-methylpiperazin-1-yl)pyrido[3,2-d]pyrimidin-2-amine?
The IUPAC name of 7-ethyl-4-(4-methylpiperazin-1-yl)pyrido[3,2-d]pyrimidin-2-amine (CID 71525586) is 7-ethyl-4-(4-methylpiperazin-1-yl)pyrido[3,2-d]pyrimidin-2-amine.
What is the SMILES notation for 7-ethyl-4-(4-methylpiperazin-1-yl)pyrido[3,2-d]pyrimidin-2-amine?
The canonical SMILES for 7-ethyl-4-(4-methylpiperazin-1-yl)pyrido[3,2-d]pyrimidin-2-amine is CCc1cnc2c(N3CCN(C)CC3)nc(N)nc2c1.
What is the InChIKey of 7-ethyl-4-(4-methylpiperazin-1-yl)pyrido[3,2-d]pyrimidin-2-amine?
The InChIKey is LRLYLQHAQNEFGV-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20N6/c1-3-10-8-11-12(16-9-10)13(18-14(15)17-11)20-6-4-19(2)5-7-20/h8-9H,3-7H2,1-2H3,(H2,15,17,18).
What are the key properties of 7-ethyl-4-(4-methylpiperazin-1-yl)pyrido[3,2-d]pyrimidin-2-amine?
7-ethyl-4-(4-methylpiperazin-1-yl)pyrido[3,2-d]pyrimidin-2-amine has a molecular weight of 272.36 g/mol, XLogP of 0.92, 2 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 7-ethyl-4-(4-methylpiperazin-1-yl)pyrido[3,2-d]pyrimidin-2-amine is sourced from PubChem (CID 71525586), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).