4-N-(1-cyclopropylethyl)-4-N-methyl-6-N,5-dipropylpyrimidine-4,6-diamine

C16H28N4 — CID 80792671

IUPAC4-N-(1-cyclopropylethyl)-4-N-methyl-6-N,5-dipropylpyrimidine-4,6-diamine
SMILESCCCNc1ncnc(N(C)C(C)C2CC2)c1CCC
InChIInChI=1S/C16H28N4/c1-5-7-14-15(17-10-6-2)18-11-19-16(14)20(4)12(3)13-8-9-13/h11-13H,5-10H2,1-4H3,(H,17,18,19)
InChIKeyXACXOYSKKNCQCS-UHFFFAOYSA-N
MW276.43 g/mol
LogP3.49
Rot. Bonds8

About 4-N-(1-cyclopropylethyl)-4-N-methyl-6-N,5-dipropylpyrimidine-4,6-diamine

4-N-(1-cyclopropylethyl)-4-N-methyl-6-N,5-dipropylpyrimidine-4,6-diamine (PubChem CID 80792671) has the molecular formula C16H28N4 and a molecular weight of 276.43 g/mol. Its IUPAC name is 4-N-(1-cyclopropylethyl)-4-N-methyl-6-N,5-dipropylpyrimidine-4,6-diamine.

Molecular Properties

Compound Name4-N-(1-cyclopropylethyl)-4-N-methyl-6-N,5-dipropylpyrimidine-4,6-diamine
PubChem CID80792671
Molecular FormulaC16H28N4
Molecular Weight276.43 g/mol
Exact Mass276.23
IUPAC Name4-N-(1-cyclopropylethyl)-4-N-methyl-6-N,5-dipropylpyrimidine-4,6-diamine
SMILESCCCNc1ncnc(N(C)C(C)C2CC2)c1CCC
InChIInChI=1S/C16H28N4/c1-5-7-14-15(17-10-6-2)18-11-19-16(14)20(4)12(3)13-8-9-13/h11-13H,5-10H2,1-4H3,(H,17,18,19)
InChIKeyXACXOYSKKNCQCS-UHFFFAOYSA-N
XLogP3.49
TPSA41.05 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500276.43
LogP ≤ 53.49
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 4-N-(1-cyclopropylethyl)-4-N-methyl-6-N,5-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

N-(1-cyclopropylethyl)-6-hydrazinyl-N-methyl-5-propylpyrimidin-4-amine
CID 80906264
6-chloro-N-(1-cyclopropylethyl)-N-methyl-5-propylpyrimidin-4-amine
CID 55230256
4-N-methyl-6-N,5-dipropyl-4-N-(thiolan-3-yl)pyrimidine-4,6-diamine
CID 80784672
4-N-butan-2-yl-6-N-ethyl-4-N-methyl-5-propylpyrimidine-4,6-diamine
CID 80775365
4-N-(cyclopropylmethyl)-4-N-ethyl-6-N,5-dipropylpyrimidine-4,6-diamine
CID 80839740
N-(1-cyclopropylethyl)-6-hydrazinyl-N-methyl-5-propan-2-ylpyrimidin-4-amine
CID 80906631
2-[[5-ethyl-6-(propylamino)pyrimidin-4-yl]-methylamino]propan-1-ol
CID 113426535
3-[[6-(ethylamino)-5-propylpyrimidin-4-yl]-methylamino]butanenitrile
CID 80829044
N-(1-cyclopropylethyl)-6-hydrazinyl-N-(2-methoxyethyl)-5-propylpyrimidin-4-amine
CID 80900457
3-[propan-2-yl-[5-propyl-6-(propylamino)pyrimidin-4-yl]amino]propan-1-ol
CID 80788107
2-cyclopropyl-4-N-(1-cyclopropylethyl)-4-N,5-dimethyl-6-N-propylpyrimidine-4,6-diamine
CID 80986615
4-N-cyclopentyl-6-N,5-dipropylpyrimidine-4,6-diamine
CID 80770351

Frequently Asked Questions

What is the IUPAC name of 4-N-(1-cyclopropylethyl)-4-N-methyl-6-N,5-dipropylpyrimidine-4,6-diamine?
The IUPAC name of 4-N-(1-cyclopropylethyl)-4-N-methyl-6-N,5-dipropylpyrimidine-4,6-diamine (CID 80792671) is 4-N-(1-cyclopropylethyl)-4-N-methyl-6-N,5-dipropylpyrimidine-4,6-diamine.
What is the SMILES notation for 4-N-(1-cyclopropylethyl)-4-N-methyl-6-N,5-dipropylpyrimidine-4,6-diamine?
The canonical SMILES for 4-N-(1-cyclopropylethyl)-4-N-methyl-6-N,5-dipropylpyrimidine-4,6-diamine is CCCNc1ncnc(N(C)C(C)C2CC2)c1CCC.
What is the InChIKey of 4-N-(1-cyclopropylethyl)-4-N-methyl-6-N,5-dipropylpyrimidine-4,6-diamine?
The InChIKey is XACXOYSKKNCQCS-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H28N4/c1-5-7-14-15(17-10-6-2)18-11-19-16(14)20(4)12(3)13-8-9-13/h11-13H,5-10H2,1-4H3,(H,17,18,19).
What are the key properties of 4-N-(1-cyclopropylethyl)-4-N-methyl-6-N,5-dipropylpyrimidine-4,6-diamine?
4-N-(1-cyclopropylethyl)-4-N-methyl-6-N,5-dipropylpyrimidine-4,6-diamine has a molecular weight of 276.43 g/mol, XLogP of 3.49, 8 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-N-(1-cyclopropylethyl)-4-N-methyl-6-N,5-dipropylpyrimidine-4,6-diamine is sourced from PubChem (CID 80792671), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).