4-N-(cyclopropylmethyl)-6-N-[2-(dimethylamino)ethyl]pyrimidine-2,4,6-triamine

C12H22N6 — CID 90909451

IUPAC4-N-(cyclopropylmethyl)-6-N-[2-(dimethylamino)ethyl]pyrimidine-2,4,6-triamine
SMILESCN(C)CCNc1cc(NCC2CC2)nc(N)n1
InChIInChI=1S/C12H22N6/c1-18(2)6-5-14-10-7-11(17-12(13)16-10)15-8-9-3-4-9/h7,9H,3-6,8H2,1-2H3,(H4,13,14,15,16,17)
InChIKeyPHLSDOARJMKGOF-UHFFFAOYSA-N
MW250.35 g/mol
LogP0.85
Rot. Bonds7

About 4-N-(cyclopropylmethyl)-6-N-[2-(dimethylamino)ethyl]pyrimidine-2,4,6-triamine

4-N-(cyclopropylmethyl)-6-N-[2-(dimethylamino)ethyl]pyrimidine-2,4,6-triamine (PubChem CID 90909451) has the molecular formula C12H22N6 and a molecular weight of 250.35 g/mol. Its IUPAC name is 4-N-(cyclopropylmethyl)-6-N-[2-(dimethylamino)ethyl]pyrimidine-2,4,6-triamine.

Molecular Properties

Compound Name4-N-(cyclopropylmethyl)-6-N-[2-(dimethylamino)ethyl]pyrimidine-2,4,6-triamine
PubChem CID90909451
Molecular FormulaC12H22N6
Molecular Weight250.35 g/mol
Exact Mass250.19
IUPAC Name4-N-(cyclopropylmethyl)-6-N-[2-(dimethylamino)ethyl]pyrimidine-2,4,6-triamine
SMILESCN(C)CCNc1cc(NCC2CC2)nc(N)n1
InChIInChI=1S/C12H22N6/c1-18(2)6-5-14-10-7-11(17-12(13)16-10)15-8-9-3-4-9/h7,9H,3-6,8H2,1-2H3,(H4,13,14,15,16,17)
InChIKeyPHLSDOARJMKGOF-UHFFFAOYSA-N
XLogP0.85
TPSA79.10 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500250.35
LogP ≤ 50.85
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

Analyze 4-N-(cyclopropylmethyl)-6-N-[2-(dimethylamino)ethyl]pyrimidine-2,4,6-triamine 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-[2-(dimethylamino)ethyl]-6-hydrazinylpyrimidine-2,4-diamine
CID 80932754
4-[[[2-amino-6-(propylamino)pyrimidin-4-yl]amino]methyl]cyclohexan-1-ol
CID 106138505
4-N-(cyclohexylmethyl)-6-N-ethylpyrimidine-2,4,6-triamine
CID 80783942
4-N-[2-[cyclopropyl(methyl)amino]ethyl]-6-N-ethylpyrimidine-2,4,6-triamine
CID 80823298
6-methyl-4-N-[(4-methylcyclohexyl)methyl]pyrimidine-2,4-diamine
CID 78969897
6-hydrazinyl-4-N-[(3-methylcyclopentyl)methyl]pyrimidine-2,4-diamine
CID 107416016
4-N-[2-[cyclopentyl(methyl)amino]ethyl]-6-N-propylpyrimidine-2,4,6-triamine
CID 80814858
4-N-[4-(dimethylamino)butyl]-6-N-methylpyrimidine-2,4,6-triamine
CID 80817210
4-N-(cyclopropylmethyl)-6-pyrrolidin-1-ylpyrimidine-2,4-diamine
CID 130324603
4-N-[(1-methylpiperidin-4-yl)methyl]pyrimidine-2,4,6-triamine
CID 80812495
4-N-[2-(dimethylamino)ethyl]-2-methylpyrimidine-4,6-diamine
CID 80769589
6-chloro-4-N-[2-[cyclopentyl(methyl)amino]ethyl]pyrimidine-2,4-diamine
CID 78942098

Frequently Asked Questions

What is the IUPAC name of 4-N-(cyclopropylmethyl)-6-N-[2-(dimethylamino)ethyl]pyrimidine-2,4,6-triamine?
The IUPAC name of 4-N-(cyclopropylmethyl)-6-N-[2-(dimethylamino)ethyl]pyrimidine-2,4,6-triamine (CID 90909451) is 4-N-(cyclopropylmethyl)-6-N-[2-(dimethylamino)ethyl]pyrimidine-2,4,6-triamine.
What is the SMILES notation for 4-N-(cyclopropylmethyl)-6-N-[2-(dimethylamino)ethyl]pyrimidine-2,4,6-triamine?
The canonical SMILES for 4-N-(cyclopropylmethyl)-6-N-[2-(dimethylamino)ethyl]pyrimidine-2,4,6-triamine is CN(C)CCNc1cc(NCC2CC2)nc(N)n1.
What is the InChIKey of 4-N-(cyclopropylmethyl)-6-N-[2-(dimethylamino)ethyl]pyrimidine-2,4,6-triamine?
The InChIKey is PHLSDOARJMKGOF-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H22N6/c1-18(2)6-5-14-10-7-11(17-12(13)16-10)15-8-9-3-4-9/h7,9H,3-6,8H2,1-2H3,(H4,13,14,15,16,17).
What are the key properties of 4-N-(cyclopropylmethyl)-6-N-[2-(dimethylamino)ethyl]pyrimidine-2,4,6-triamine?
4-N-(cyclopropylmethyl)-6-N-[2-(dimethylamino)ethyl]pyrimidine-2,4,6-triamine has a molecular weight of 250.35 g/mol, XLogP of 0.85, 7 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-N-(cyclopropylmethyl)-6-N-[2-(dimethylamino)ethyl]pyrimidine-2,4,6-triamine is sourced from PubChem (CID 90909451), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).