4-N,5-dimethyl-4-N-pentan-2-yl-6-N,2-dipropylpyrimidine-4,6-diamine

C17H32N4 — CID 80986626

IUPAC4-N,5-dimethyl-4-N-pentan-2-yl-6-N,2-dipropylpyrimidine-4,6-diamine
SMILESCCCNc1nc(CCC)nc(N(C)C(C)CCC)c1C
InChIInChI=1S/C17H32N4/c1-7-10-13(4)21(6)17-14(5)16(18-12-9-3)19-15(20-17)11-8-2/h13H,7-12H2,1-6H3,(H,18,19,20)
InChIKeyNWBDPEJQPMLLBT-UHFFFAOYSA-N
MW292.47 g/mol
LogP4.18
Rot. Bonds9

About 4-N,5-dimethyl-4-N-pentan-2-yl-6-N,2-dipropylpyrimidine-4,6-diamine

4-N,5-dimethyl-4-N-pentan-2-yl-6-N,2-dipropylpyrimidine-4,6-diamine (PubChem CID 80986626) has the molecular formula C17H32N4 and a molecular weight of 292.47 g/mol. Its IUPAC name is 4-N,5-dimethyl-4-N-pentan-2-yl-6-N,2-dipropylpyrimidine-4,6-diamine.

Molecular Properties

Compound Name4-N,5-dimethyl-4-N-pentan-2-yl-6-N,2-dipropylpyrimidine-4,6-diamine
PubChem CID80986626
Molecular FormulaC17H32N4
Molecular Weight292.47 g/mol
Exact Mass292.26
IUPAC Name4-N,5-dimethyl-4-N-pentan-2-yl-6-N,2-dipropylpyrimidine-4,6-diamine
SMILESCCCNc1nc(CCC)nc(N(C)C(C)CCC)c1C
InChIInChI=1S/C17H32N4/c1-7-10-13(4)21(6)17-14(5)16(18-12-9-3)19-15(20-17)11-8-2/h13H,7-12H2,1-6H3,(H,18,19,20)
InChIKeyNWBDPEJQPMLLBT-UHFFFAOYSA-N
XLogP4.18
TPSA41.05 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500292.47
LogP ≤ 54.18
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 4-N,5-dimethyl-4-N-pentan-2-yl-6-N,2-dipropylpyrimidine-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-(3-methylbutyl)-6-N,2-dipropylpyrimidine-4,6-diamine
CID 80987790
4-N,5-dimethyl-4-N-pentan-2-yl-6-N-propylpyrimidine-4,6-diamine
CID 80792963
2-ethyl-4-N,5-dimethyl-4-N-pentan-3-yl-6-N-propylpyrimidine-4,6-diamine
CID 80993430
6-N-ethyl-4-N,5-dimethyl-4-N-(3-methylbutyl)-2-propylpyrimidine-4,6-diamine
CID 80986177
4-N-[2-(dimethylamino)ethyl]-5-methyl-6-N,2-dipropylpyrimidine-4,6-diamine
CID 80980867
5-methyl-6-pentan-2-yloxy-N,2-dipropylpyrimidin-4-amine
CID 102989455
2-[[5-methyl-2-propyl-6-(propylamino)pyrimidin-4-yl]-propylamino]ethanol
CID 80987908
4-N-butan-2-yl-4-N,2-diethyl-5-methyl-6-N-propylpyrimidine-4,6-diamine
CID 80994284
5-methyl-4-N-(3-methylbutyl)-2-propylpyrimidine-4,6-diamine
CID 80981770
1-[[2-ethyl-5-methyl-6-(propylamino)pyrimidin-4-yl]-methylamino]propan-2-ol
CID 80982738
3-[(6-hydrazinyl-5-methyl-2-propylpyrimidin-4-yl)-methylamino]butanenitrile
CID 81006300
4-N,6-N-diethyl-5-methyl-4-N-(2-methylpropyl)-2-propylpyrimidine-4,6-diamine
CID 80993891

Frequently Asked Questions

What is the IUPAC name of 4-N,5-dimethyl-4-N-pentan-2-yl-6-N,2-dipropylpyrimidine-4,6-diamine?
The IUPAC name of 4-N,5-dimethyl-4-N-pentan-2-yl-6-N,2-dipropylpyrimidine-4,6-diamine (CID 80986626) is 4-N,5-dimethyl-4-N-pentan-2-yl-6-N,2-dipropylpyrimidine-4,6-diamine.
What is the SMILES notation for 4-N,5-dimethyl-4-N-pentan-2-yl-6-N,2-dipropylpyrimidine-4,6-diamine?
The canonical SMILES for 4-N,5-dimethyl-4-N-pentan-2-yl-6-N,2-dipropylpyrimidine-4,6-diamine is CCCNc1nc(CCC)nc(N(C)C(C)CCC)c1C.
What is the InChIKey of 4-N,5-dimethyl-4-N-pentan-2-yl-6-N,2-dipropylpyrimidine-4,6-diamine?
The InChIKey is NWBDPEJQPMLLBT-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H32N4/c1-7-10-13(4)21(6)17-14(5)16(18-12-9-3)19-15(20-17)11-8-2/h13H,7-12H2,1-6H3,(H,18,19,20).
What are the key properties of 4-N,5-dimethyl-4-N-pentan-2-yl-6-N,2-dipropylpyrimidine-4,6-diamine?
4-N,5-dimethyl-4-N-pentan-2-yl-6-N,2-dipropylpyrimidine-4,6-diamine has a molecular weight of 292.47 g/mol, XLogP of 4.18, 9 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-N,5-dimethyl-4-N-pentan-2-yl-6-N,2-dipropylpyrimidine-4,6-diamine is sourced from PubChem (CID 80986626), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).