4-N-methyl-4-N-[(2-methylcyclopropyl)methyl]-5-propan-2-yl-6-N-propylpyrimidine-4,6-diamine

C16H28N4 — CID 80839941

IUPAC4-N-methyl-4-N-[(2-methylcyclopropyl)methyl]-5-propan-2-yl-6-N-propylpyrimidine-4,6-diamine
SMILESCCCNc1ncnc(N(C)CC2CC2C)c1C(C)C
InChIInChI=1S/C16H28N4/c1-6-7-17-15-14(11(2)3)16(19-10-18-15)20(5)9-13-8-12(13)4/h10-13H,6-9H2,1-5H3,(H,17,18,19)
InChIKeyLDXWFKJZGZPXIF-UHFFFAOYSA-N
MW276.43 g/mol
LogP3.51
Rot. Bonds7

About 4-N-methyl-4-N-[(2-methylcyclopropyl)methyl]-5-propan-2-yl-6-N-propylpyrimidine-4,6-diamine

4-N-methyl-4-N-[(2-methylcyclopropyl)methyl]-5-propan-2-yl-6-N-propylpyrimidine-4,6-diamine (PubChem CID 80839941) has the molecular formula C16H28N4 and a molecular weight of 276.43 g/mol. Its IUPAC name is 4-N-methyl-4-N-[(2-methylcyclopropyl)methyl]-5-propan-2-yl-6-N-propylpyrimidine-4,6-diamine.

Molecular Properties

Compound Name4-N-methyl-4-N-[(2-methylcyclopropyl)methyl]-5-propan-2-yl-6-N-propylpyrimidine-4,6-diamine
PubChem CID80839941
Molecular FormulaC16H28N4
Molecular Weight276.43 g/mol
Exact Mass276.23
IUPAC Name4-N-methyl-4-N-[(2-methylcyclopropyl)methyl]-5-propan-2-yl-6-N-propylpyrimidine-4,6-diamine
SMILESCCCNc1ncnc(N(C)CC2CC2C)c1C(C)C
InChIInChI=1S/C16H28N4/c1-6-7-17-15-14(11(2)3)16(19-10-18-15)20(5)9-13-8-12(13)4/h10-13H,6-9H2,1-5H3,(H,17,18,19)
InChIKeyLDXWFKJZGZPXIF-UHFFFAOYSA-N
XLogP3.51
TPSA41.05 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500276.43
LogP ≤ 53.51
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 4-N-methyl-4-N-[(2-methylcyclopropyl)methyl]-5-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,5-dimethyl-4-N-[(2-methylcyclopropyl)methyl]-2-propan-2-yl-6-N-propylpyrimidine-4,6-diamine
CID 80985609
2-[cyclopropyl-[5-propan-2-yl-6-(propylamino)pyrimidin-4-yl]amino]ethanol
CID 80811423
4-N-ethyl-5-propan-2-yl-4-N,6-N-dipropylpyrimidine-4,6-diamine
CID 80775502
4-N-[2-[ethyl(methyl)amino]ethyl]-5-propan-2-yl-6-N-propylpyrimidine-4,6-diamine
CID 80833363
N-ethyl-2-[methyl-[5-propan-2-yl-6-(propylamino)pyrimidin-4-yl]amino]acetamide
CID 80786397
4-N-(furan-2-ylmethyl)-4-N-methyl-5-propan-2-yl-6-N-propylpyrimidine-4,6-diamine
CID 80774779
4-N-butyl-4-N-ethyl-5-propan-2-yl-6-N-propylpyrimidine-4,6-diamine
CID 80753718
4-N-hexyl-5-propan-2-yl-6-N-propylpyrimidine-4,6-diamine
CID 80836424
2-methyl-3-[[5-propan-2-yl-6-(propylamino)pyrimidin-4-yl]amino]propan-1-ol
CID 80840418
3-[[[5-propan-2-yl-6-(propylamino)pyrimidin-4-yl]amino]methyl]cyclopentan-1-ol
CID 106138049
6-N-ethyl-4-N-methyl-4-N-(oxan-2-ylmethyl)-5-propan-2-ylpyrimidine-4,6-diamine
CID 80780441
4-N-butan-2-yl-5-propan-2-yl-6-N-propylpyrimidine-4,6-diamine
CID 80765380

Frequently Asked Questions

What is the IUPAC name of 4-N-methyl-4-N-[(2-methylcyclopropyl)methyl]-5-propan-2-yl-6-N-propylpyrimidine-4,6-diamine?
The IUPAC name of 4-N-methyl-4-N-[(2-methylcyclopropyl)methyl]-5-propan-2-yl-6-N-propylpyrimidine-4,6-diamine (CID 80839941) is 4-N-methyl-4-N-[(2-methylcyclopropyl)methyl]-5-propan-2-yl-6-N-propylpyrimidine-4,6-diamine.
What is the SMILES notation for 4-N-methyl-4-N-[(2-methylcyclopropyl)methyl]-5-propan-2-yl-6-N-propylpyrimidine-4,6-diamine?
The canonical SMILES for 4-N-methyl-4-N-[(2-methylcyclopropyl)methyl]-5-propan-2-yl-6-N-propylpyrimidine-4,6-diamine is CCCNc1ncnc(N(C)CC2CC2C)c1C(C)C.
What is the InChIKey of 4-N-methyl-4-N-[(2-methylcyclopropyl)methyl]-5-propan-2-yl-6-N-propylpyrimidine-4,6-diamine?
The InChIKey is LDXWFKJZGZPXIF-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H28N4/c1-6-7-17-15-14(11(2)3)16(19-10-18-15)20(5)9-13-8-12(13)4/h10-13H,6-9H2,1-5H3,(H,17,18,19).
What are the key properties of 4-N-methyl-4-N-[(2-methylcyclopropyl)methyl]-5-propan-2-yl-6-N-propylpyrimidine-4,6-diamine?
4-N-methyl-4-N-[(2-methylcyclopropyl)methyl]-5-propan-2-yl-6-N-propylpyrimidine-4,6-diamine has a molecular weight of 276.43 g/mol, XLogP of 3.51, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-N-methyl-4-N-[(2-methylcyclopropyl)methyl]-5-propan-2-yl-6-N-propylpyrimidine-4,6-diamine is sourced from PubChem (CID 80839941), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).