4,6-bis(4-methylpiperazin-1-yl)pyrimidin-2-amine

C14H25N7 — CID 25129182

IUPAC4,6-bis(4-methylpiperazin-1-yl)pyrimidin-2-amine
SMILESCN1CCN(c2cc(N3CCN(C)CC3)nc(N)n2)CC1
InChIInChI=1S/C14H25N7/c1-18-3-7-20(8-4-18)12-11-13(17-14(15)16-12)21-9-5-19(2)6-10-21/h11H,3-10H2,1-2H3,(H2,15,16,17)
InChIKeyNOADUJROGLQQHL-UHFFFAOYSA-N
MW291.40 g/mol
LogP-0.44
Rot. Bonds2

About 4,6-bis(4-methylpiperazin-1-yl)pyrimidin-2-amine

4,6-bis(4-methylpiperazin-1-yl)pyrimidin-2-amine (PubChem CID 25129182) has the molecular formula C14H25N7 and a molecular weight of 291.40 g/mol. Its IUPAC name is 4,6-bis(4-methylpiperazin-1-yl)pyrimidin-2-amine.

Molecular Properties

Compound Name4,6-bis(4-methylpiperazin-1-yl)pyrimidin-2-amine
PubChem CID25129182
Molecular FormulaC14H25N7
Molecular Weight291.40 g/mol
Exact Mass291.22
IUPAC Name4,6-bis(4-methylpiperazin-1-yl)pyrimidin-2-amine
SMILESCN1CCN(c2cc(N3CCN(C)CC3)nc(N)n2)CC1
InChIInChI=1S/C14H25N7/c1-18-3-7-20(8-4-18)12-11-13(17-14(15)16-12)21-9-5-19(2)6-10-21/h11H,3-10H2,1-2H3,(H2,15,16,17)
InChIKeyNOADUJROGLQQHL-UHFFFAOYSA-N
XLogP-0.44
TPSA64.76 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500291.40
LogP ≤ 5-0.44
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 4,6-bis(4-methylpiperazin-1-yl)pyrimidin-2-amine?
The IUPAC name of 4,6-bis(4-methylpiperazin-1-yl)pyrimidin-2-amine (CID 25129182) is 4,6-bis(4-methylpiperazin-1-yl)pyrimidin-2-amine.
What is the SMILES notation for 4,6-bis(4-methylpiperazin-1-yl)pyrimidin-2-amine?
The canonical SMILES for 4,6-bis(4-methylpiperazin-1-yl)pyrimidin-2-amine is CN1CCN(c2cc(N3CCN(C)CC3)nc(N)n2)CC1.
What is the InChIKey of 4,6-bis(4-methylpiperazin-1-yl)pyrimidin-2-amine?
The InChIKey is NOADUJROGLQQHL-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H25N7/c1-18-3-7-20(8-4-18)12-11-13(17-14(15)16-12)21-9-5-19(2)6-10-21/h11H,3-10H2,1-2H3,(H2,15,16,17).
What are the key properties of 4,6-bis(4-methylpiperazin-1-yl)pyrimidin-2-amine?
4,6-bis(4-methylpiperazin-1-yl)pyrimidin-2-amine has a molecular weight of 291.40 g/mol, XLogP of -0.44, 2 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 4,6-bis(4-methylpiperazin-1-yl)pyrimidin-2-amine is sourced from PubChem (CID 25129182), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).