5-[(3-cyclopropyl-1H-1,2,4-triazol-5-yl)methyl]-4,6-dimethylpyrimidin-2-amine

C12H16N6 — CID 50984635

IUPAC5-[(3-cyclopropyl-1H-1,2,4-triazol-5-yl)methyl]-4,6-dimethylpyrimidin-2-amine
SMILESCc1nc(N)nc(C)c1Cc1nc(C2CC2)n[nH]1
InChIInChI=1S/C12H16N6/c1-6-9(7(2)15-12(13)14-6)5-10-16-11(18-17-10)8-3-4-8/h8H,3-5H2,1-2H3,(H2,13,14,15)(H,16,17,18)
InChIKeyGQEZMLAYEBSGOV-UHFFFAOYSA-N
MW244.30 g/mol
LogP1.26
Rot. Bonds3

About 5-[(3-cyclopropyl-1H-1,2,4-triazol-5-yl)methyl]-4,6-dimethylpyrimidin-2-amine

5-[(3-cyclopropyl-1H-1,2,4-triazol-5-yl)methyl]-4,6-dimethylpyrimidin-2-amine (PubChem CID 50984635) has the molecular formula C12H16N6 and a molecular weight of 244.30 g/mol. Its IUPAC name is 5-[(3-cyclopropyl-1H-1,2,4-triazol-5-yl)methyl]-4,6-dimethylpyrimidin-2-amine.

Molecular Properties

Compound Name5-[(3-cyclopropyl-1H-1,2,4-triazol-5-yl)methyl]-4,6-dimethylpyrimidin-2-amine
PubChem CID50984635
Molecular FormulaC12H16N6
Molecular Weight244.30 g/mol
Exact Mass244.14
IUPAC Name5-[(3-cyclopropyl-1H-1,2,4-triazol-5-yl)methyl]-4,6-dimethylpyrimidin-2-amine
SMILESCc1nc(N)nc(C)c1Cc1nc(C2CC2)n[nH]1
InChIInChI=1S/C12H16N6/c1-6-9(7(2)15-12(13)14-6)5-10-16-11(18-17-10)8-3-4-8/h8H,3-5H2,1-2H3,(H2,13,14,15)(H,16,17,18)
InChIKeyGQEZMLAYEBSGOV-UHFFFAOYSA-N
XLogP1.26
TPSA93.37 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500244.30
LogP ≤ 51.26
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

3,4,6-trimethyl-2H-pyrazolo[3,4-d]pyrimidine
CID 22948401
5-ethyl-6-(1H-1,2,4-triazol-5-yl)pyrimidine-2,4-diamine
CID 68719142
molecular hydrogen;3,4,6-trimethyl-2H-pyrazolo[3,4-d]pyrimidine
CID 169149216
5-ethyl-4-N-(heptan-4-ylideneamino)-2-N-(5-hexyl-1H-1,2,4-triazol-3-yl)-6-methylpyrimidine-2,4-diamine
CID 3897676
4-chloro-5-ethyl-N-(5-hexyl-1H-1,2,4-triazol-3-yl)-6-methylpyrimidin-2-amine
CID 12661886
5-ethyl-N-(5-hexyl-1H-1,2,4-triazol-3-yl)-4-hydrazinyl-6-methylpyrimidin-2-amine
CID 12661889
3-cyclopropyl-5-[(3,5-dimethyl-1H-pyrazol-4-yl)methyl]-1H-1,2,4-triazole
CID 50957974
N,5-diethyl-6-methyl-2-(1H-1,2,4-triazol-5-yl)pyrimidin-4-amine
CID 55045819
5-cyclopropyl-3-(1,3,5-trimethylpyrazol-4-yl)-1H-1,2,4-triazole
CID 61339074
5-propan-2-yl-3-(1,3,5-trimethylpyrazol-4-yl)-1H-1,2,4-triazole
CID 61349380
5-ethyl-6-methyl-2-(1H-1,2,4-triazol-5-yl)pyrimidin-4-amine
CID 62191018
5-ethyl-6-methyl-N-propyl-2-(1H-1,2,4-triazol-5-yl)pyrimidin-4-amine
CID 62192497

Frequently Asked Questions

What is the IUPAC name of 5-[(3-cyclopropyl-1H-1,2,4-triazol-5-yl)methyl]-4,6-dimethylpyrimidin-2-amine?
The IUPAC name of 5-[(3-cyclopropyl-1H-1,2,4-triazol-5-yl)methyl]-4,6-dimethylpyrimidin-2-amine (CID 50984635) is 5-[(3-cyclopropyl-1H-1,2,4-triazol-5-yl)methyl]-4,6-dimethylpyrimidin-2-amine.
What is the SMILES notation for 5-[(3-cyclopropyl-1H-1,2,4-triazol-5-yl)methyl]-4,6-dimethylpyrimidin-2-amine?
The canonical SMILES for 5-[(3-cyclopropyl-1H-1,2,4-triazol-5-yl)methyl]-4,6-dimethylpyrimidin-2-amine is Cc1nc(N)nc(C)c1Cc1nc(C2CC2)n[nH]1.
What is the InChIKey of 5-[(3-cyclopropyl-1H-1,2,4-triazol-5-yl)methyl]-4,6-dimethylpyrimidin-2-amine?
The InChIKey is GQEZMLAYEBSGOV-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H16N6/c1-6-9(7(2)15-12(13)14-6)5-10-16-11(18-17-10)8-3-4-8/h8H,3-5H2,1-2H3,(H2,13,14,15)(H,16,17,18).
What are the key properties of 5-[(3-cyclopropyl-1H-1,2,4-triazol-5-yl)methyl]-4,6-dimethylpyrimidin-2-amine?
5-[(3-cyclopropyl-1H-1,2,4-triazol-5-yl)methyl]-4,6-dimethylpyrimidin-2-amine has a molecular weight of 244.30 g/mol, XLogP of 1.26, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[(3-cyclopropyl-1H-1,2,4-triazol-5-yl)methyl]-4,6-dimethylpyrimidin-2-amine is sourced from PubChem (CID 50984635), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).