4-N-cyclopropyl-4-N-(cyclopropylmethyl)-2-propan-2-yl-6-N-propylpyrimidine-4,6-diamine

C17H28N4 — CID 80960250

IUPAC4-N-cyclopropyl-4-N-(cyclopropylmethyl)-2-propan-2-yl-6-N-propylpyrimidine-4,6-diamine
SMILESCCCNc1cc(N(CC2CC2)C2CC2)nc(C(C)C)n1
InChIInChI=1S/C17H28N4/c1-4-9-18-15-10-16(20-17(19-15)12(2)3)21(14-7-8-14)11-13-5-6-13/h10,12-14H,4-9,11H2,1-3H3,(H,18,19,20)
InChIKeyMKUACULYIRPHGE-UHFFFAOYSA-N
MW288.44 g/mol
LogP3.80
Rot. Bonds8

About 4-N-cyclopropyl-4-N-(cyclopropylmethyl)-2-propan-2-yl-6-N-propylpyrimidine-4,6-diamine

4-N-cyclopropyl-4-N-(cyclopropylmethyl)-2-propan-2-yl-6-N-propylpyrimidine-4,6-diamine (PubChem CID 80960250) has the molecular formula C17H28N4 and a molecular weight of 288.44 g/mol. Its IUPAC name is 4-N-cyclopropyl-4-N-(cyclopropylmethyl)-2-propan-2-yl-6-N-propylpyrimidine-4,6-diamine.

Molecular Properties

Compound Name4-N-cyclopropyl-4-N-(cyclopropylmethyl)-2-propan-2-yl-6-N-propylpyrimidine-4,6-diamine
PubChem CID80960250
Molecular FormulaC17H28N4
Molecular Weight288.44 g/mol
Exact Mass288.23
IUPAC Name4-N-cyclopropyl-4-N-(cyclopropylmethyl)-2-propan-2-yl-6-N-propylpyrimidine-4,6-diamine
SMILESCCCNc1cc(N(CC2CC2)C2CC2)nc(C(C)C)n1
InChIInChI=1S/C17H28N4/c1-4-9-18-15-10-16(20-17(19-15)12(2)3)21(14-7-8-14)11-13-5-6-13/h10,12-14H,4-9,11H2,1-3H3,(H,18,19,20)
InChIKeyMKUACULYIRPHGE-UHFFFAOYSA-N
XLogP3.80
TPSA41.05 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500288.44
LogP ≤ 53.80
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 4-N-cyclopropyl-4-N-(cyclopropylmethyl)-2-propan-2-yl-6-N-propylpyrimidine-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-cyclopropyl-4-N-methyl-2-propan-2-yl-6-N-propylpyrimidine-4,6-diamine
CID 80967123
4-N-cyclopropyl-6-N-methyl-2-propan-2-yl-4-N-propylpyrimidine-4,6-diamine
CID 80967223
4-N-cyclopropyl-4-N-ethyl-6-N-methyl-2-propan-2-ylpyrimidine-4,6-diamine
CID 80967655
4-N-cyclopropyl-6-N-ethyl-4-N-(2-methoxyethyl)-2-propan-2-ylpyrimidine-4,6-diamine
CID 80961551
4-N-(dicyclopropylmethyl)-2-propan-2-yl-6-N-propylpyrimidine-4,6-diamine
CID 80962100
4-N-methyl-4-N-pentan-3-yl-2-propan-2-yl-6-N-propylpyrimidine-4,6-diamine
CID 80967348
1-[methyl-[2-propan-2-yl-6-(propylamino)pyrimidin-4-yl]amino]propan-2-ol
CID 80957681
4-N-cyclopropyl-2-ethyl-4-N-(3-methylbutyl)-6-N-propylpyrimidine-4,6-diamine
CID 80940294
4-N-cyclopropyl-4-N-(cyclopropylmethyl)-2-N-propylpyridine-2,4-diamine
CID 113367881
2-tert-butyl-4-N-cyclopropyl-4-N,6-N-dipropylpyrimidine-4,6-diamine
CID 80960352
6-methyl-2-propan-2-yl-N-propylpyrimidin-4-amine
CID 43395265
4-N-butyl-2-propan-2-yl-6-N-propylpyrimidine-4,6-diamine
CID 80955537

Frequently Asked Questions

What is the IUPAC name of 4-N-cyclopropyl-4-N-(cyclopropylmethyl)-2-propan-2-yl-6-N-propylpyrimidine-4,6-diamine?
The IUPAC name of 4-N-cyclopropyl-4-N-(cyclopropylmethyl)-2-propan-2-yl-6-N-propylpyrimidine-4,6-diamine (CID 80960250) is 4-N-cyclopropyl-4-N-(cyclopropylmethyl)-2-propan-2-yl-6-N-propylpyrimidine-4,6-diamine.
What is the SMILES notation for 4-N-cyclopropyl-4-N-(cyclopropylmethyl)-2-propan-2-yl-6-N-propylpyrimidine-4,6-diamine?
The canonical SMILES for 4-N-cyclopropyl-4-N-(cyclopropylmethyl)-2-propan-2-yl-6-N-propylpyrimidine-4,6-diamine is CCCNc1cc(N(CC2CC2)C2CC2)nc(C(C)C)n1.
What is the InChIKey of 4-N-cyclopropyl-4-N-(cyclopropylmethyl)-2-propan-2-yl-6-N-propylpyrimidine-4,6-diamine?
The InChIKey is MKUACULYIRPHGE-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H28N4/c1-4-9-18-15-10-16(20-17(19-15)12(2)3)21(14-7-8-14)11-13-5-6-13/h10,12-14H,4-9,11H2,1-3H3,(H,18,19,20).
What are the key properties of 4-N-cyclopropyl-4-N-(cyclopropylmethyl)-2-propan-2-yl-6-N-propylpyrimidine-4,6-diamine?
4-N-cyclopropyl-4-N-(cyclopropylmethyl)-2-propan-2-yl-6-N-propylpyrimidine-4,6-diamine has a molecular weight of 288.44 g/mol, XLogP of 3.80, 8 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-N-cyclopropyl-4-N-(cyclopropylmethyl)-2-propan-2-yl-6-N-propylpyrimidine-4,6-diamine is sourced from PubChem (CID 80960250), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).