4-N-methyl-6-N-(4-methylpiperazin-1-yl)-4-N-(1-methylpiperidin-4-yl)pyrimidine-4,5,6-triamine

C16H30N8 — CID 19144124

IUPAC4-N-methyl-6-N-(4-methylpiperazin-1-yl)-4-N-(1-methylpiperidin-4-yl)pyrimidine-4,5,6-triamine
SMILESCN1CCC(N(C)c2ncnc(NN3CCN(C)CC3)c2N)CC1
InChIInChI=1S/C16H30N8/c1-21-6-4-13(5-7-21)23(3)16-14(17)15(18-12-19-16)20-24-10-8-22(2)9-11-24/h12-13H,4-11,17H2,1-3H3,(H,18,19,20)
InChIKeyUVQUYDAYGLNNLT-UHFFFAOYSA-N
MW334.47 g/mol
LogP0.16
Rot. Bonds4

About 4-N-methyl-6-N-(4-methylpiperazin-1-yl)-4-N-(1-methylpiperidin-4-yl)pyrimidine-4,5,6-triamine

4-N-methyl-6-N-(4-methylpiperazin-1-yl)-4-N-(1-methylpiperidin-4-yl)pyrimidine-4,5,6-triamine (PubChem CID 19144124) has the molecular formula C16H30N8 and a molecular weight of 334.47 g/mol. Its IUPAC name is 4-N-methyl-6-N-(4-methylpiperazin-1-yl)-4-N-(1-methylpiperidin-4-yl)pyrimidine-4,5,6-triamine.

Molecular Properties

Compound Name4-N-methyl-6-N-(4-methylpiperazin-1-yl)-4-N-(1-methylpiperidin-4-yl)pyrimidine-4,5,6-triamine
PubChem CID19144124
Molecular FormulaC16H30N8
Molecular Weight334.47 g/mol
Exact Mass334.26
IUPAC Name4-N-methyl-6-N-(4-methylpiperazin-1-yl)-4-N-(1-methylpiperidin-4-yl)pyrimidine-4,5,6-triamine
SMILESCN1CCC(N(C)c2ncnc(NN3CCN(C)CC3)c2N)CC1
InChIInChI=1S/C16H30N8/c1-21-6-4-13(5-7-21)23(3)16-14(17)15(18-12-19-16)20-24-10-8-22(2)9-11-24/h12-13H,4-11,17H2,1-3H3,(H,18,19,20)
InChIKeyUVQUYDAYGLNNLT-UHFFFAOYSA-N
XLogP0.16
TPSA76.79 Ų
H-Bond Donors2
H-Bond Acceptors8
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500334.47
LogP ≤ 50.16
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 108

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Frequently Asked Questions

What is the IUPAC name of 4-N-methyl-6-N-(4-methylpiperazin-1-yl)-4-N-(1-methylpiperidin-4-yl)pyrimidine-4,5,6-triamine?
The IUPAC name of 4-N-methyl-6-N-(4-methylpiperazin-1-yl)-4-N-(1-methylpiperidin-4-yl)pyrimidine-4,5,6-triamine (CID 19144124) is 4-N-methyl-6-N-(4-methylpiperazin-1-yl)-4-N-(1-methylpiperidin-4-yl)pyrimidine-4,5,6-triamine.
What is the SMILES notation for 4-N-methyl-6-N-(4-methylpiperazin-1-yl)-4-N-(1-methylpiperidin-4-yl)pyrimidine-4,5,6-triamine?
The canonical SMILES for 4-N-methyl-6-N-(4-methylpiperazin-1-yl)-4-N-(1-methylpiperidin-4-yl)pyrimidine-4,5,6-triamine is CN1CCC(N(C)c2ncnc(NN3CCN(C)CC3)c2N)CC1.
What is the InChIKey of 4-N-methyl-6-N-(4-methylpiperazin-1-yl)-4-N-(1-methylpiperidin-4-yl)pyrimidine-4,5,6-triamine?
The InChIKey is UVQUYDAYGLNNLT-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H30N8/c1-21-6-4-13(5-7-21)23(3)16-14(17)15(18-12-19-16)20-24-10-8-22(2)9-11-24/h12-13H,4-11,17H2,1-3H3,(H,18,19,20).
What are the key properties of 4-N-methyl-6-N-(4-methylpiperazin-1-yl)-4-N-(1-methylpiperidin-4-yl)pyrimidine-4,5,6-triamine?
4-N-methyl-6-N-(4-methylpiperazin-1-yl)-4-N-(1-methylpiperidin-4-yl)pyrimidine-4,5,6-triamine has a molecular weight of 334.47 g/mol, XLogP of 0.16, 4 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 4-N-methyl-6-N-(4-methylpiperazin-1-yl)-4-N-(1-methylpiperidin-4-yl)pyrimidine-4,5,6-triamine is sourced from PubChem (CID 19144124), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).