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

C12H16N6 — CID 73353369

IUPAC4-(4-methylpiperazin-1-yl)pyrido[3,2-d]pyrimidin-2-amine
SMILESCN1CCN(c2nc(N)nc3cccnc23)CC1
InChIInChI=1S/C12H16N6/c1-17-5-7-18(8-6-17)11-10-9(3-2-4-14-10)15-12(13)16-11/h2-4H,5-8H2,1H3,(H2,13,15,16)
InChIKeyCNBQIPSGGHCMJO-UHFFFAOYSA-N
MW244.30 g/mol
LogP0.36
Rot. Bonds1

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

4-(4-methylpiperazin-1-yl)pyrido[3,2-d]pyrimidin-2-amine (PubChem CID 73353369) has the molecular formula C12H16N6 and a molecular weight of 244.30 g/mol. Its IUPAC name is 4-(4-methylpiperazin-1-yl)pyrido[3,2-d]pyrimidin-2-amine.

Molecular Properties

Compound Name4-(4-methylpiperazin-1-yl)pyrido[3,2-d]pyrimidin-2-amine
PubChem CID73353369
Molecular FormulaC12H16N6
Molecular Weight244.30 g/mol
Exact Mass244.14
IUPAC Name4-(4-methylpiperazin-1-yl)pyrido[3,2-d]pyrimidin-2-amine
SMILESCN1CCN(c2nc(N)nc3cccnc23)CC1
InChIInChI=1S/C12H16N6/c1-17-5-7-18(8-6-17)11-10-9(3-2-4-14-10)15-12(13)16-11/h2-4H,5-8H2,1H3,(H2,13,15,16)
InChIKeyCNBQIPSGGHCMJO-UHFFFAOYSA-N
XLogP0.36
TPSA71.17 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds1
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500244.30
LogP ≤ 50.36
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 4-(4-methylpiperazin-1-yl)pyrido[3,2-d]pyrimidin-2-amine?
The IUPAC name of 4-(4-methylpiperazin-1-yl)pyrido[3,2-d]pyrimidin-2-amine (CID 73353369) is 4-(4-methylpiperazin-1-yl)pyrido[3,2-d]pyrimidin-2-amine.
What is the SMILES notation for 4-(4-methylpiperazin-1-yl)pyrido[3,2-d]pyrimidin-2-amine?
The canonical SMILES for 4-(4-methylpiperazin-1-yl)pyrido[3,2-d]pyrimidin-2-amine is CN1CCN(c2nc(N)nc3cccnc23)CC1.
What is the InChIKey of 4-(4-methylpiperazin-1-yl)pyrido[3,2-d]pyrimidin-2-amine?
The InChIKey is CNBQIPSGGHCMJO-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H16N6/c1-17-5-7-18(8-6-17)11-10-9(3-2-4-14-10)15-12(13)16-11/h2-4H,5-8H2,1H3,(H2,13,15,16).
What are the key properties of 4-(4-methylpiperazin-1-yl)pyrido[3,2-d]pyrimidin-2-amine?
4-(4-methylpiperazin-1-yl)pyrido[3,2-d]pyrimidin-2-amine has a molecular weight of 244.30 g/mol, XLogP of 0.36, 1 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(4-methylpiperazin-1-yl)pyrido[3,2-d]pyrimidin-2-amine is sourced from PubChem (CID 73353369), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).