4-N-methyl-6-N-propan-2-yl-4-N-[(4-propan-2-yl-1,2,4-triazol-3-yl)methyl]pyrimidine-4,6-diamine

C14H23N7 — CID 50954283

IUPAC4-N-methyl-6-N-propan-2-yl-4-N-[(4-propan-2-yl-1,2,4-triazol-3-yl)methyl]pyrimidine-4,6-diamine
SMILESCC(C)Nc1cc(N(C)Cc2nncn2C(C)C)ncn1
InChIInChI=1S/C14H23N7/c1-10(2)18-12-6-13(16-8-15-12)20(5)7-14-19-17-9-21(14)11(3)4/h6,8-11H,7H2,1-5H3,(H,15,16,18)
InChIKeyRBHZLCQBLWZNOL-UHFFFAOYSA-N
MW289.39 g/mol
LogP2.11
Rot. Bonds6

About 4-N-methyl-6-N-propan-2-yl-4-N-[(4-propan-2-yl-1,2,4-triazol-3-yl)methyl]pyrimidine-4,6-diamine

4-N-methyl-6-N-propan-2-yl-4-N-[(4-propan-2-yl-1,2,4-triazol-3-yl)methyl]pyrimidine-4,6-diamine (PubChem CID 50954283) has the molecular formula C14H23N7 and a molecular weight of 289.39 g/mol. Its IUPAC name is 4-N-methyl-6-N-propan-2-yl-4-N-[(4-propan-2-yl-1,2,4-triazol-3-yl)methyl]pyrimidine-4,6-diamine.

Molecular Properties

Compound Name4-N-methyl-6-N-propan-2-yl-4-N-[(4-propan-2-yl-1,2,4-triazol-3-yl)methyl]pyrimidine-4,6-diamine
PubChem CID50954283
Molecular FormulaC14H23N7
Molecular Weight289.39 g/mol
Exact Mass289.20
IUPAC Name4-N-methyl-6-N-propan-2-yl-4-N-[(4-propan-2-yl-1,2,4-triazol-3-yl)methyl]pyrimidine-4,6-diamine
SMILESCC(C)Nc1cc(N(C)Cc2nncn2C(C)C)ncn1
InChIInChI=1S/C14H23N7/c1-10(2)18-12-6-13(16-8-15-12)20(5)7-14-19-17-9-21(14)11(3)4/h6,8-11H,7H2,1-5H3,(H,15,16,18)
InChIKeyRBHZLCQBLWZNOL-UHFFFAOYSA-N
XLogP2.11
TPSA71.76 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500289.39
LogP ≤ 52.11
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 4-N-methyl-6-N-propan-2-yl-4-N-[(4-propan-2-yl-1,2,4-triazol-3-yl)methyl]pyrimidine-4,6-diamine?
The IUPAC name of 4-N-methyl-6-N-propan-2-yl-4-N-[(4-propan-2-yl-1,2,4-triazol-3-yl)methyl]pyrimidine-4,6-diamine (CID 50954283) is 4-N-methyl-6-N-propan-2-yl-4-N-[(4-propan-2-yl-1,2,4-triazol-3-yl)methyl]pyrimidine-4,6-diamine.
What is the SMILES notation for 4-N-methyl-6-N-propan-2-yl-4-N-[(4-propan-2-yl-1,2,4-triazol-3-yl)methyl]pyrimidine-4,6-diamine?
The canonical SMILES for 4-N-methyl-6-N-propan-2-yl-4-N-[(4-propan-2-yl-1,2,4-triazol-3-yl)methyl]pyrimidine-4,6-diamine is CC(C)Nc1cc(N(C)Cc2nncn2C(C)C)ncn1.
What is the InChIKey of 4-N-methyl-6-N-propan-2-yl-4-N-[(4-propan-2-yl-1,2,4-triazol-3-yl)methyl]pyrimidine-4,6-diamine?
The InChIKey is RBHZLCQBLWZNOL-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H23N7/c1-10(2)18-12-6-13(16-8-15-12)20(5)7-14-19-17-9-21(14)11(3)4/h6,8-11H,7H2,1-5H3,(H,15,16,18).
What are the key properties of 4-N-methyl-6-N-propan-2-yl-4-N-[(4-propan-2-yl-1,2,4-triazol-3-yl)methyl]pyrimidine-4,6-diamine?
4-N-methyl-6-N-propan-2-yl-4-N-[(4-propan-2-yl-1,2,4-triazol-3-yl)methyl]pyrimidine-4,6-diamine has a molecular weight of 289.39 g/mol, XLogP of 2.11, 6 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 4-N-methyl-6-N-propan-2-yl-4-N-[(4-propan-2-yl-1,2,4-triazol-3-yl)methyl]pyrimidine-4,6-diamine is sourced from PubChem (CID 50954283), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).