2-methyl-6-propan-2-yl-N-[3-(1,2,4-triazol-1-yl)propyl]pyrimidin-4-amine

C13H20N6 — CID 50954626

IUPAC2-methyl-6-propan-2-yl-N-[3-(1,2,4-triazol-1-yl)propyl]pyrimidin-4-amine
SMILESCc1nc(NCCCn2cncn2)cc(C(C)C)n1
InChIInChI=1S/C13H20N6/c1-10(2)12-7-13(18-11(3)17-12)15-5-4-6-19-9-14-8-16-19/h7-10H,4-6H2,1-3H3,(H,15,17,18)
InChIKeyWLTACXWRWALDAL-UHFFFAOYSA-N
MW260.34 g/mol
LogP2.00
Rot. Bonds6

About 2-methyl-6-propan-2-yl-N-[3-(1,2,4-triazol-1-yl)propyl]pyrimidin-4-amine

2-methyl-6-propan-2-yl-N-[3-(1,2,4-triazol-1-yl)propyl]pyrimidin-4-amine (PubChem CID 50954626) has the molecular formula C13H20N6 and a molecular weight of 260.34 g/mol. Its IUPAC name is 2-methyl-6-propan-2-yl-N-[3-(1,2,4-triazol-1-yl)propyl]pyrimidin-4-amine.

Molecular Properties

Compound Name2-methyl-6-propan-2-yl-N-[3-(1,2,4-triazol-1-yl)propyl]pyrimidin-4-amine
PubChem CID50954626
Molecular FormulaC13H20N6
Molecular Weight260.34 g/mol
Exact Mass260.17
IUPAC Name2-methyl-6-propan-2-yl-N-[3-(1,2,4-triazol-1-yl)propyl]pyrimidin-4-amine
SMILESCc1nc(NCCCn2cncn2)cc(C(C)C)n1
InChIInChI=1S/C13H20N6/c1-10(2)12-7-13(18-11(3)17-12)15-5-4-6-19-9-14-8-16-19/h7-10H,4-6H2,1-3H3,(H,15,17,18)
InChIKeyWLTACXWRWALDAL-UHFFFAOYSA-N
XLogP2.00
TPSA68.52 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500260.34
LogP ≤ 52.00
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

Jnj-39758979
CID 24994634
4-[(3R)-3-(methylamino)pyrrolidin-1-yl]-6-propan-2-ylpyrimidin-2-amine
CID 24994635
4-N-butyl-6-methyl-5-(3-pyrazol-1-ylpropyl)pyrimidine-2,4-diamine
CID 135260428
6-Ethyl-2,4-diisobutylaminopyrimidine
CID 25133613
N4-(5-cyclopropyl-1H-pyrazol-3-yl)-N2-isopentyl-pyrimidine-2,4-diamine
CID 70683297
(3R)-1-(6-ethylpyrimidin-4-yl)-N-methylpyrrolidin-3-amine
CID 118720433
4-N-butyl-6-methyl-5-[3-(1,2,4-triazol-1-yl)propyl]pyrimidine-2,4-diamine
CID 135271031
N-methyl-6-[1-(2-methylpropyl)pyrazol-4-yl]pyrimidin-4-amine
CID 46942530
N,N-dimethyl-6-[(1-methylpyrrolidin-3-yl)methyl]pyrimidin-4-amine
CID 73439395
cis-(1S,3R)-3-N-(5-propan-2-ylpyrazolo[1,5-a]pyrimidin-7-yl)cyclopentane-1,3-diamine
CID 146502786
1-N-(5-propan-2-ylpyrazolo[1,5-a]pyrimidin-7-yl)cyclobutane-1,3-diamine
CID 146502810
trans-(1S,3S)-3-N-(5-propan-2-ylpyrazolo[1,5-a]pyrimidin-7-yl)cyclopentane-1,3-diamine
CID 146502817

Frequently Asked Questions

What is the IUPAC name of 2-methyl-6-propan-2-yl-N-[3-(1,2,4-triazol-1-yl)propyl]pyrimidin-4-amine?
The IUPAC name of 2-methyl-6-propan-2-yl-N-[3-(1,2,4-triazol-1-yl)propyl]pyrimidin-4-amine (CID 50954626) is 2-methyl-6-propan-2-yl-N-[3-(1,2,4-triazol-1-yl)propyl]pyrimidin-4-amine.
What is the SMILES notation for 2-methyl-6-propan-2-yl-N-[3-(1,2,4-triazol-1-yl)propyl]pyrimidin-4-amine?
The canonical SMILES for 2-methyl-6-propan-2-yl-N-[3-(1,2,4-triazol-1-yl)propyl]pyrimidin-4-amine is Cc1nc(NCCCn2cncn2)cc(C(C)C)n1.
What is the InChIKey of 2-methyl-6-propan-2-yl-N-[3-(1,2,4-triazol-1-yl)propyl]pyrimidin-4-amine?
The InChIKey is WLTACXWRWALDAL-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H20N6/c1-10(2)12-7-13(18-11(3)17-12)15-5-4-6-19-9-14-8-16-19/h7-10H,4-6H2,1-3H3,(H,15,17,18).
What are the key properties of 2-methyl-6-propan-2-yl-N-[3-(1,2,4-triazol-1-yl)propyl]pyrimidin-4-amine?
2-methyl-6-propan-2-yl-N-[3-(1,2,4-triazol-1-yl)propyl]pyrimidin-4-amine has a molecular weight of 260.34 g/mol, XLogP of 2.00, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-6-propan-2-yl-N-[3-(1,2,4-triazol-1-yl)propyl]pyrimidin-4-amine is sourced from PubChem (CID 50954626), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).