4-methyl-N-[(4-methyl-5-propan-2-yl-1,2,4-triazol-3-yl)methyl]pyrimidin-2-amine

C12H18N6 — CID 75484596

IUPAC4-methyl-N-[(4-methyl-5-propan-2-yl-1,2,4-triazol-3-yl)methyl]pyrimidin-2-amine
SMILESCc1ccnc(NCc2nnc(C(C)C)n2C)n1
InChIInChI=1S/C12H18N6/c1-8(2)11-17-16-10(18(11)4)7-14-12-13-6-5-9(3)15-12/h5-6,8H,7H2,1-4H3,(H,13,14,15)
InChIKeyMYTGRDNHOUJTJZ-UHFFFAOYSA-N
MW246.32 g/mol
LogP1.65
Rot. Bonds4

About 4-methyl-N-[(4-methyl-5-propan-2-yl-1,2,4-triazol-3-yl)methyl]pyrimidin-2-amine

4-methyl-N-[(4-methyl-5-propan-2-yl-1,2,4-triazol-3-yl)methyl]pyrimidin-2-amine (PubChem CID 75484596) has the molecular formula C12H18N6 and a molecular weight of 246.32 g/mol. Its IUPAC name is 4-methyl-N-[(4-methyl-5-propan-2-yl-1,2,4-triazol-3-yl)methyl]pyrimidin-2-amine.

Molecular Properties

Compound Name4-methyl-N-[(4-methyl-5-propan-2-yl-1,2,4-triazol-3-yl)methyl]pyrimidin-2-amine
PubChem CID75484596
Molecular FormulaC12H18N6
Molecular Weight246.32 g/mol
Exact Mass246.16
IUPAC Name4-methyl-N-[(4-methyl-5-propan-2-yl-1,2,4-triazol-3-yl)methyl]pyrimidin-2-amine
SMILESCc1ccnc(NCc2nnc(C(C)C)n2C)n1
InChIInChI=1S/C12H18N6/c1-8(2)11-17-16-10(18(11)4)7-14-12-13-6-5-9(3)15-12/h5-6,8H,7H2,1-4H3,(H,13,14,15)
InChIKeyMYTGRDNHOUJTJZ-UHFFFAOYSA-N
XLogP1.65
TPSA68.52 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500246.32
LogP ≤ 51.65
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 4-methyl-N-[(4-methyl-5-propan-2-yl-1,2,4-triazol-3-yl)methyl]pyrimidin-2-amine?
The IUPAC name of 4-methyl-N-[(4-methyl-5-propan-2-yl-1,2,4-triazol-3-yl)methyl]pyrimidin-2-amine (CID 75484596) is 4-methyl-N-[(4-methyl-5-propan-2-yl-1,2,4-triazol-3-yl)methyl]pyrimidin-2-amine.
What is the SMILES notation for 4-methyl-N-[(4-methyl-5-propan-2-yl-1,2,4-triazol-3-yl)methyl]pyrimidin-2-amine?
The canonical SMILES for 4-methyl-N-[(4-methyl-5-propan-2-yl-1,2,4-triazol-3-yl)methyl]pyrimidin-2-amine is Cc1ccnc(NCc2nnc(C(C)C)n2C)n1.
What is the InChIKey of 4-methyl-N-[(4-methyl-5-propan-2-yl-1,2,4-triazol-3-yl)methyl]pyrimidin-2-amine?
The InChIKey is MYTGRDNHOUJTJZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H18N6/c1-8(2)11-17-16-10(18(11)4)7-14-12-13-6-5-9(3)15-12/h5-6,8H,7H2,1-4H3,(H,13,14,15).
What are the key properties of 4-methyl-N-[(4-methyl-5-propan-2-yl-1,2,4-triazol-3-yl)methyl]pyrimidin-2-amine?
4-methyl-N-[(4-methyl-5-propan-2-yl-1,2,4-triazol-3-yl)methyl]pyrimidin-2-amine has a molecular weight of 246.32 g/mol, XLogP of 1.65, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methyl-N-[(4-methyl-5-propan-2-yl-1,2,4-triazol-3-yl)methyl]pyrimidin-2-amine is sourced from PubChem (CID 75484596), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).