4-N,4,5-trimethyl-1H-pyrimidine-2,4-diamine

C7H14N4 — CID 154455426

IUPAC4-N,4,5-trimethyl-1H-pyrimidine-2,4-diamine
SMILESCNC1(C)N=C(N)NC=C1C
InChIInChI=1S/C7H14N4/c1-5-4-10-6(8)11-7(5,2)9-3/h4,9H,1-3H3,(H3,8,10,11)
InChIKeyPBNXVVOLATVASJ-UHFFFAOYSA-N
MW154.22 g/mol
LogP-0.26
Rot. Bonds1

About 4-N,4,5-trimethyl-1H-pyrimidine-2,4-diamine

4-N,4,5-trimethyl-1H-pyrimidine-2,4-diamine (PubChem CID 154455426) has the molecular formula C7H14N4 and a molecular weight of 154.22 g/mol. Its IUPAC name is 4-N,4,5-trimethyl-1H-pyrimidine-2,4-diamine.

Molecular Properties

Compound Name4-N,4,5-trimethyl-1H-pyrimidine-2,4-diamine
PubChem CID154455426
Molecular FormulaC7H14N4
Molecular Weight154.22 g/mol
Exact Mass154.12
IUPAC Name4-N,4,5-trimethyl-1H-pyrimidine-2,4-diamine
SMILESCNC1(C)N=C(N)NC=C1C
InChIInChI=1S/C7H14N4/c1-5-4-10-6(8)11-7(5,2)9-3/h4,9H,1-3H3,(H3,8,10,11)
InChIKeyPBNXVVOLATVASJ-UHFFFAOYSA-N
XLogP-0.26
TPSA62.44 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500154.22
LogP ≤ 5-0.26
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Analyze 4-N,4,5-trimethyl-1H-pyrimidine-2,4-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

4,5-Dimethyl-1,4-dihydropyrimidine
CID 57275033
4-methyl-5-(trifluoromethyl)-1H-pyrimidine-2,4-diamine
CID 154168925
N-fluoro-4,5-dimethyl-1,4-dihydropyrimidin-2-amine
CID 166164318
4-ethyl-5-fluoro-1H-pyrimidine-2,4-diamine
CID 171648861
(5-Ethyl-1,4-dihydropyrimidin-2-yl)-methanidylazanium
CID 58832406
5-Methyl-1,4-dihydropyrimidin-2-amine
CID 68310657
4-methyl-1H-pyrimidine-2,4-diamine
CID 68412964
2,4,5-Trimethyl-1,4-dihydropyrimidine
CID 89164495
5-Ethyl-1,4-dihydropyrimidin-2-amine
CID 89374650
4,5-Dimethyl-1,4-dihydropyrimidin-2-amine
CID 89750365
N-ethyl-5-methyl-1,4-dihydropyrimidin-4-amine
CID 90452814
N,5-dimethyl-1,4-dihydropyrimidin-4-amine
CID 90452820

Frequently Asked Questions

What is the IUPAC name of 4-N,4,5-trimethyl-1H-pyrimidine-2,4-diamine?
The IUPAC name of 4-N,4,5-trimethyl-1H-pyrimidine-2,4-diamine (CID 154455426) is 4-N,4,5-trimethyl-1H-pyrimidine-2,4-diamine.
What is the SMILES notation for 4-N,4,5-trimethyl-1H-pyrimidine-2,4-diamine?
The canonical SMILES for 4-N,4,5-trimethyl-1H-pyrimidine-2,4-diamine is CNC1(C)N=C(N)NC=C1C.
What is the InChIKey of 4-N,4,5-trimethyl-1H-pyrimidine-2,4-diamine?
The InChIKey is PBNXVVOLATVASJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H14N4/c1-5-4-10-6(8)11-7(5,2)9-3/h4,9H,1-3H3,(H3,8,10,11).
What are the key properties of 4-N,4,5-trimethyl-1H-pyrimidine-2,4-diamine?
4-N,4,5-trimethyl-1H-pyrimidine-2,4-diamine has a molecular weight of 154.22 g/mol, XLogP of -0.26, 1 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-N,4,5-trimethyl-1H-pyrimidine-2,4-diamine is sourced from PubChem (CID 154455426), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).