2-tert-butyl-5-methyl-4-N-(1-methylpyrrolidin-3-yl)pyrimidine-4,6-diamine

C14H25N5 — CID 80987816

IUPAC2-tert-butyl-5-methyl-4-N-(1-methylpyrrolidin-3-yl)pyrimidine-4,6-diamine
SMILESCc1c(N)nc(C(C)(C)C)nc1NC1CCN(C)C1
InChIInChI=1S/C14H25N5/c1-9-11(15)17-13(14(2,3)4)18-12(9)16-10-6-7-19(5)8-10/h10H,6-8H2,1-5H3,(H3,15,16,17,18)
InChIKeyDJMJZTTXHHELOD-UHFFFAOYSA-N
MW263.39 g/mol
LogP1.78
Rot. Bonds2

About 2-tert-butyl-5-methyl-4-N-(1-methylpyrrolidin-3-yl)pyrimidine-4,6-diamine

2-tert-butyl-5-methyl-4-N-(1-methylpyrrolidin-3-yl)pyrimidine-4,6-diamine (PubChem CID 80987816) has the molecular formula C14H25N5 and a molecular weight of 263.39 g/mol. Its IUPAC name is 2-tert-butyl-5-methyl-4-N-(1-methylpyrrolidin-3-yl)pyrimidine-4,6-diamine.

Molecular Properties

Compound Name2-tert-butyl-5-methyl-4-N-(1-methylpyrrolidin-3-yl)pyrimidine-4,6-diamine
PubChem CID80987816
Molecular FormulaC14H25N5
Molecular Weight263.39 g/mol
Exact Mass263.21
IUPAC Name2-tert-butyl-5-methyl-4-N-(1-methylpyrrolidin-3-yl)pyrimidine-4,6-diamine
SMILESCc1c(N)nc(C(C)(C)C)nc1NC1CCN(C)C1
InChIInChI=1S/C14H25N5/c1-9-11(15)17-13(14(2,3)4)18-12(9)16-10-6-7-19(5)8-10/h10H,6-8H2,1-5H3,(H3,15,16,17,18)
InChIKeyDJMJZTTXHHELOD-UHFFFAOYSA-N
XLogP1.78
TPSA67.07 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500263.39
LogP ≤ 51.78
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Analyze 2-tert-butyl-5-methyl-4-N-(1-methylpyrrolidin-3-yl)pyrimidine-4,6-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

2-tert-butyl-4-N-(3-ethylcyclohexyl)-5-methylpyrimidine-4,6-diamine
CID 80981629
2-tert-butyl-4-N-(cyclobutylmethyl)-5-methylpyrimidine-4,6-diamine
CID 80994208
2-tert-butyl-6-chloro-N-(1-methylpyrrolidin-3-yl)pyrimidin-4-amine
CID 80953646
2-tert-butyl-5-methyl-4-N-[(1-methylpiperidin-2-yl)methyl]pyrimidine-4,6-diamine
CID 80983916
6-tert-butyl-4-N-(1-methylpyrrolidin-3-yl)pyrimidine-2,4-diamine
CID 66740280
3-[[(6-amino-2-tert-butyl-5-methylpyrimidin-4-yl)amino]methyl]cyclopentan-1-ol
CID 106137926
2-tert-butyl-5-methyl-4-N-(2-morpholin-4-ylethyl)pyrimidine-4,6-diamine
CID 80980968
2-N-(1-methylpyrrolidin-3-yl)-6-(trifluoromethyl)-1,3,5-triazine-2,4-diamine
CID 112746491
2-[(6-amino-2-tert-butyl-5-methylpyrimidin-4-yl)amino]-1-cyclopropylethanol
CID 80984904
6-N,5-dimethyl-4-N-(1-methylpyrrolidin-3-yl)pyrimidine-4,6-diamine
CID 80803944
6-N-(1-methylpyrrolidin-3-yl)pyridine-2,3,6-triamine
CID 79826028
2-[(1-methylpyrrolidin-3-yl)amino]-6-(trifluoromethyl)pyridine-3-carboxamide
CID 79868721

Frequently Asked Questions

What is the IUPAC name of 2-tert-butyl-5-methyl-4-N-(1-methylpyrrolidin-3-yl)pyrimidine-4,6-diamine?
The IUPAC name of 2-tert-butyl-5-methyl-4-N-(1-methylpyrrolidin-3-yl)pyrimidine-4,6-diamine (CID 80987816) is 2-tert-butyl-5-methyl-4-N-(1-methylpyrrolidin-3-yl)pyrimidine-4,6-diamine.
What is the SMILES notation for 2-tert-butyl-5-methyl-4-N-(1-methylpyrrolidin-3-yl)pyrimidine-4,6-diamine?
The canonical SMILES for 2-tert-butyl-5-methyl-4-N-(1-methylpyrrolidin-3-yl)pyrimidine-4,6-diamine is Cc1c(N)nc(C(C)(C)C)nc1NC1CCN(C)C1.
What is the InChIKey of 2-tert-butyl-5-methyl-4-N-(1-methylpyrrolidin-3-yl)pyrimidine-4,6-diamine?
The InChIKey is DJMJZTTXHHELOD-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H25N5/c1-9-11(15)17-13(14(2,3)4)18-12(9)16-10-6-7-19(5)8-10/h10H,6-8H2,1-5H3,(H3,15,16,17,18).
What are the key properties of 2-tert-butyl-5-methyl-4-N-(1-methylpyrrolidin-3-yl)pyrimidine-4,6-diamine?
2-tert-butyl-5-methyl-4-N-(1-methylpyrrolidin-3-yl)pyrimidine-4,6-diamine has a molecular weight of 263.39 g/mol, XLogP of 1.78, 2 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-tert-butyl-5-methyl-4-N-(1-methylpyrrolidin-3-yl)pyrimidine-4,6-diamine is sourced from PubChem (CID 80987816), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).