4-N,4-N-bis(2-methylpropyl)pyrimidine-4,5,6-triamine

C12H23N5 — CID 19137086

IUPAC4-N,4-N-bis(2-methylpropyl)pyrimidine-4,5,6-triamine
SMILESCC(C)CN(CC(C)C)c1ncnc(N)c1N
InChIInChI=1S/C12H23N5/c1-8(2)5-17(6-9(3)4)12-10(13)11(14)15-7-16-12/h7-9H,5-6,13H2,1-4H3,(H2,14,15,16)
InChIKeyWPLMNVFQTZQOMS-UHFFFAOYSA-N
MW237.35 g/mol
LogP1.76
Rot. Bonds5

About 4-N,4-N-bis(2-methylpropyl)pyrimidine-4,5,6-triamine

4-N,4-N-bis(2-methylpropyl)pyrimidine-4,5,6-triamine (PubChem CID 19137086) has the molecular formula C12H23N5 and a molecular weight of 237.35 g/mol. Its IUPAC name is 4-N,4-N-bis(2-methylpropyl)pyrimidine-4,5,6-triamine.

Molecular Properties

Compound Name4-N,4-N-bis(2-methylpropyl)pyrimidine-4,5,6-triamine
PubChem CID19137086
Molecular FormulaC12H23N5
Molecular Weight237.35 g/mol
Exact Mass237.20
IUPAC Name4-N,4-N-bis(2-methylpropyl)pyrimidine-4,5,6-triamine
SMILESCC(C)CN(CC(C)C)c1ncnc(N)c1N
InChIInChI=1S/C12H23N5/c1-8(2)5-17(6-9(3)4)12-10(13)11(14)15-7-16-12/h7-9H,5-6,13H2,1-4H3,(H2,14,15,16)
InChIKeyWPLMNVFQTZQOMS-UHFFFAOYSA-N
XLogP1.76
TPSA81.06 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500237.35
LogP ≤ 51.76
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 4-N,4-N-bis(2-methylpropyl)pyrimidine-4,5,6-triamine?
The IUPAC name of 4-N,4-N-bis(2-methylpropyl)pyrimidine-4,5,6-triamine (CID 19137086) is 4-N,4-N-bis(2-methylpropyl)pyrimidine-4,5,6-triamine.
What is the SMILES notation for 4-N,4-N-bis(2-methylpropyl)pyrimidine-4,5,6-triamine?
The canonical SMILES for 4-N,4-N-bis(2-methylpropyl)pyrimidine-4,5,6-triamine is CC(C)CN(CC(C)C)c1ncnc(N)c1N.
What is the InChIKey of 4-N,4-N-bis(2-methylpropyl)pyrimidine-4,5,6-triamine?
The InChIKey is WPLMNVFQTZQOMS-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H23N5/c1-8(2)5-17(6-9(3)4)12-10(13)11(14)15-7-16-12/h7-9H,5-6,13H2,1-4H3,(H2,14,15,16).
What are the key properties of 4-N,4-N-bis(2-methylpropyl)pyrimidine-4,5,6-triamine?
4-N,4-N-bis(2-methylpropyl)pyrimidine-4,5,6-triamine has a molecular weight of 237.35 g/mol, XLogP of 1.76, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-N,4-N-bis(2-methylpropyl)pyrimidine-4,5,6-triamine is sourced from PubChem (CID 19137086), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).