6-methyl-5-(3-methyl-3-pyridin-2-ylbut-1-ynyl)pyrimidine-2,4-diamine

C15H17N5 — CID 134125729

IUPAC6-methyl-5-(3-methyl-3-pyridin-2-ylbut-1-ynyl)pyrimidine-2,4-diamine
SMILESCc1nc(N)nc(N)c1C#CC(C)(C)c1ccccn1
InChIInChI=1S/C15H17N5/c1-10-11(13(16)20-14(17)19-10)7-8-15(2,3)12-6-4-5-9-18-12/h4-6,9H,1-3H3,(H4,16,17,19,20)
InChIKeyNSYYOOWBMQYJFC-UHFFFAOYSA-N
MW267.34 g/mol
LogP1.67
Rot. Bonds1

About 6-methyl-5-(3-methyl-3-pyridin-2-ylbut-1-ynyl)pyrimidine-2,4-diamine

6-methyl-5-(3-methyl-3-pyridin-2-ylbut-1-ynyl)pyrimidine-2,4-diamine (PubChem CID 134125729) has the molecular formula C15H17N5 and a molecular weight of 267.34 g/mol. Its IUPAC name is 6-methyl-5-(3-methyl-3-pyridin-2-ylbut-1-ynyl)pyrimidine-2,4-diamine.

Molecular Properties

Compound Name6-methyl-5-(3-methyl-3-pyridin-2-ylbut-1-ynyl)pyrimidine-2,4-diamine
PubChem CID134125729
Molecular FormulaC15H17N5
Molecular Weight267.34 g/mol
Exact Mass267.15
IUPAC Name6-methyl-5-(3-methyl-3-pyridin-2-ylbut-1-ynyl)pyrimidine-2,4-diamine
SMILESCc1nc(N)nc(N)c1C#CC(C)(C)c1ccccn1
InChIInChI=1S/C15H17N5/c1-10-11(13(16)20-14(17)19-10)7-8-15(2,3)12-6-4-5-9-18-12/h4-6,9H,1-3H3,(H4,16,17,19,20)
InChIKeyNSYYOOWBMQYJFC-UHFFFAOYSA-N
XLogP1.67
TPSA90.71 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds1
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500267.34
LogP ≤ 51.67
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

Analyze 6-methyl-5-(3-methyl-3-pyridin-2-ylbut-1-ynyl)pyrimidine-2,4-diamine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

6-methyl-5-[3-methyl-3-(4-methylphenyl)but-1-ynyl]pyrimidine-2,4-diamine
CID 134104024
6-methyl-5-[3-methyl-3-[4-(trifluoromethyl)phenyl]but-1-ynyl]pyrimidine-2,4-diamine
CID 21467974
2,2-dimethylpropanoic acid;pyridin-2-amine
CID 175228101
3-methyl-3-pyridin-2-ylbutanamide
CID 67998308
2-tert-butylpyridine;ethane;methane
CID 143332153
2-amino-2-pyridin-2-ylpropanoic acid
CID 4241373
4-methylpyrimidin-2-amine;pyridin-2-amine
CID 174965113
2-pyridin-2-ylbutane-2,3-diamine
CID 87362021
copper pyridin-2-amine
CID 54608459
fluoro(pyridin-2-yl)methanediamine
CID 67406744
2-pyridin-2-ylpropan-2-yl carbamate
CID 67418657
CID 162723245
CID 162723245

Frequently Asked Questions

What is the IUPAC name of 6-methyl-5-(3-methyl-3-pyridin-2-ylbut-1-ynyl)pyrimidine-2,4-diamine?
The IUPAC name of 6-methyl-5-(3-methyl-3-pyridin-2-ylbut-1-ynyl)pyrimidine-2,4-diamine (CID 134125729) is 6-methyl-5-(3-methyl-3-pyridin-2-ylbut-1-ynyl)pyrimidine-2,4-diamine.
What is the SMILES notation for 6-methyl-5-(3-methyl-3-pyridin-2-ylbut-1-ynyl)pyrimidine-2,4-diamine?
The canonical SMILES for 6-methyl-5-(3-methyl-3-pyridin-2-ylbut-1-ynyl)pyrimidine-2,4-diamine is Cc1nc(N)nc(N)c1C#CC(C)(C)c1ccccn1.
What is the InChIKey of 6-methyl-5-(3-methyl-3-pyridin-2-ylbut-1-ynyl)pyrimidine-2,4-diamine?
The InChIKey is NSYYOOWBMQYJFC-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H17N5/c1-10-11(13(16)20-14(17)19-10)7-8-15(2,3)12-6-4-5-9-18-12/h4-6,9H,1-3H3,(H4,16,17,19,20).
What are the key properties of 6-methyl-5-(3-methyl-3-pyridin-2-ylbut-1-ynyl)pyrimidine-2,4-diamine?
6-methyl-5-(3-methyl-3-pyridin-2-ylbut-1-ynyl)pyrimidine-2,4-diamine has a molecular weight of 267.34 g/mol, XLogP of 1.67, 1 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6-methyl-5-(3-methyl-3-pyridin-2-ylbut-1-ynyl)pyrimidine-2,4-diamine is sourced from PubChem (CID 134125729), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).