2-tert-butyl-4-N-(1-cyclopropylpyrrolidin-3-yl)-6-N-methylpyrimidine-4,6-diamine

C16H27N5 — CID 80968131

IUPAC2-tert-butyl-4-N-(1-cyclopropylpyrrolidin-3-yl)-6-N-methylpyrimidine-4,6-diamine
SMILESCNc1cc(NC2CCN(C3CC3)C2)nc(C(C)(C)C)n1
InChIInChI=1S/C16H27N5/c1-16(2,3)15-19-13(17-4)9-14(20-15)18-11-7-8-21(10-11)12-5-6-12/h9,11-12H,5-8,10H2,1-4H3,(H2,17,18,19,20)
InChIKeySQUDXUFDMOCJJB-UHFFFAOYSA-N
MW289.43 g/mol
LogP2.46
Rot. Bonds4

About 2-tert-butyl-4-N-(1-cyclopropylpyrrolidin-3-yl)-6-N-methylpyrimidine-4,6-diamine

2-tert-butyl-4-N-(1-cyclopropylpyrrolidin-3-yl)-6-N-methylpyrimidine-4,6-diamine (PubChem CID 80968131) has the molecular formula C16H27N5 and a molecular weight of 289.43 g/mol. Its IUPAC name is 2-tert-butyl-4-N-(1-cyclopropylpyrrolidin-3-yl)-6-N-methylpyrimidine-4,6-diamine.

Molecular Properties

Compound Name2-tert-butyl-4-N-(1-cyclopropylpyrrolidin-3-yl)-6-N-methylpyrimidine-4,6-diamine
PubChem CID80968131
Molecular FormulaC16H27N5
Molecular Weight289.43 g/mol
Exact Mass289.23
IUPAC Name2-tert-butyl-4-N-(1-cyclopropylpyrrolidin-3-yl)-6-N-methylpyrimidine-4,6-diamine
SMILESCNc1cc(NC2CCN(C3CC3)C2)nc(C(C)(C)C)n1
InChIInChI=1S/C16H27N5/c1-16(2,3)15-19-13(17-4)9-14(20-15)18-11-7-8-21(10-11)12-5-6-12/h9,11-12H,5-8,10H2,1-4H3,(H2,17,18,19,20)
InChIKeySQUDXUFDMOCJJB-UHFFFAOYSA-N
XLogP2.46
TPSA53.08 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500289.43
LogP ≤ 52.46
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Analyze 2-tert-butyl-4-N-(1-cyclopropylpyrrolidin-3-yl)-6-N-methylpyrimidine-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

4-N-(1-cyclopropylpyrrolidin-3-yl)-6-N-methyl-2-propylpyrimidine-4,6-diamine
CID 80954685
N-(1-cyclopropylpyrrolidin-3-yl)-6-hydrazinyl-2-(trifluoromethyl)pyrimidin-4-amine
CID 106775582
4-N-(1-cyclopropylpyrrolidin-3-yl)-6-N-ethyl-2-methylpyrimidine-4,6-diamine
CID 80813937
2-tert-butyl-4-N-(1,1-dioxothian-4-yl)-6-N-methylpyrimidine-4,6-diamine
CID 80960819
2-tert-butyl-N-(1-cyclopropylpiperidin-4-yl)pyrimidin-4-amine
CID 133333719
4-N-(1-cyclopropylpyrrolidin-3-yl)-6-N,2-diethylpyrimidine-4,6-diamine
CID 80934460
4-N-(1-cyclopropylpyrrolidin-3-yl)-6-N-propylpyrimidine-2,4,6-triamine
CID 80813186
3-tert-butyl-N-(1-cyclopropylpyrrolidin-3-yl)-1,2,4-thiadiazol-5-amine
CID 65276899
N-(1-cyclopropylpyrrolidin-3-yl)-6-hydrazinyl-2-methylsulfanylpyrimidin-4-amine
CID 80904074
2-tert-butyl-6-chloro-N-(1-methylpyrrolidin-3-yl)pyrimidin-4-amine
CID 80953646
2-tert-butyl-N-(1-cyclopentylpiperidin-4-yl)-6-(methoxymethyl)pyrimidin-4-amine
CID 133412075
6-chloro-N-(1-cyclopropylpyrrolidin-3-yl)-2-methylsulfanylpyrimidin-4-amine
CID 80546981

Frequently Asked Questions

What is the IUPAC name of 2-tert-butyl-4-N-(1-cyclopropylpyrrolidin-3-yl)-6-N-methylpyrimidine-4,6-diamine?
The IUPAC name of 2-tert-butyl-4-N-(1-cyclopropylpyrrolidin-3-yl)-6-N-methylpyrimidine-4,6-diamine (CID 80968131) is 2-tert-butyl-4-N-(1-cyclopropylpyrrolidin-3-yl)-6-N-methylpyrimidine-4,6-diamine.
What is the SMILES notation for 2-tert-butyl-4-N-(1-cyclopropylpyrrolidin-3-yl)-6-N-methylpyrimidine-4,6-diamine?
The canonical SMILES for 2-tert-butyl-4-N-(1-cyclopropylpyrrolidin-3-yl)-6-N-methylpyrimidine-4,6-diamine is CNc1cc(NC2CCN(C3CC3)C2)nc(C(C)(C)C)n1.
What is the InChIKey of 2-tert-butyl-4-N-(1-cyclopropylpyrrolidin-3-yl)-6-N-methylpyrimidine-4,6-diamine?
The InChIKey is SQUDXUFDMOCJJB-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H27N5/c1-16(2,3)15-19-13(17-4)9-14(20-15)18-11-7-8-21(10-11)12-5-6-12/h9,11-12H,5-8,10H2,1-4H3,(H2,17,18,19,20).
What are the key properties of 2-tert-butyl-4-N-(1-cyclopropylpyrrolidin-3-yl)-6-N-methylpyrimidine-4,6-diamine?
2-tert-butyl-4-N-(1-cyclopropylpyrrolidin-3-yl)-6-N-methylpyrimidine-4,6-diamine has a molecular weight of 289.43 g/mol, XLogP of 2.46, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-tert-butyl-4-N-(1-cyclopropylpyrrolidin-3-yl)-6-N-methylpyrimidine-4,6-diamine is sourced from PubChem (CID 80968131), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).