4-N-(3,3-dimethylbutan-2-yl)pyrimidine-2,4-diamine

C10H18N4 — CID 104830588

IUPAC4-N-(3,3-dimethylbutan-2-yl)pyrimidine-2,4-diamine
SMILESCC(Nc1ccnc(N)n1)C(C)(C)C
InChIInChI=1S/C10H18N4/c1-7(10(2,3)4)13-8-5-6-12-9(11)14-8/h5-7H,1-4H3,(H3,11,12,13,14)
InChIKeyRLZXDPGWDXEOIA-UHFFFAOYSA-N
MW194.28 g/mol
LogP1.91
Rot. Bonds2

About 4-N-(3,3-dimethylbutan-2-yl)pyrimidine-2,4-diamine

4-N-(3,3-dimethylbutan-2-yl)pyrimidine-2,4-diamine (PubChem CID 104830588) has the molecular formula C10H18N4 and a molecular weight of 194.28 g/mol. Its IUPAC name is 4-N-(3,3-dimethylbutan-2-yl)pyrimidine-2,4-diamine.

Molecular Properties

Compound Name4-N-(3,3-dimethylbutan-2-yl)pyrimidine-2,4-diamine
PubChem CID104830588
Molecular FormulaC10H18N4
Molecular Weight194.28 g/mol
Exact Mass194.15
IUPAC Name4-N-(3,3-dimethylbutan-2-yl)pyrimidine-2,4-diamine
SMILESCC(Nc1ccnc(N)n1)C(C)(C)C
InChIInChI=1S/C10H18N4/c1-7(10(2,3)4)13-8-5-6-12-9(11)14-8/h5-7H,1-4H3,(H3,11,12,13,14)
InChIKeyRLZXDPGWDXEOIA-UHFFFAOYSA-N
XLogP1.91
TPSA63.83 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500194.28
LogP ≤ 51.91
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze 4-N-(3,3-dimethylbutan-2-yl)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

1-[(2-aminopyrimidin-4-yl)amino]-2,4-dimethylpentan-2-ol
CID 80851643
4-N-(4-methylhexan-2-yl)pyrimidine-2,4-diamine
CID 80846918
4-N-heptan-2-ylpyrimidine-2,4-diamine
CID 80803742
N-(3,3-dimethylbutan-2-yl)pyridin-2-amine
CID 112704501
4-N-[1-(2-fluorophenyl)ethyl]pyrimidine-2,4-diamine
CID 80801582
2-N-(3,3-dimethylbutan-2-yl)-6-[(2-methylpropan-2-yl)oxy]pyridine-2,5-diamine
CID 104827461
N-(3,3-dimethylbutan-2-yl)-4-methoxypyridin-2-amine
CID 115922894
6-N-[(2R)-3,3-dimethylbutan-2-yl]-3-(trifluoromethyl)pyrazine-2,6-diamine
CID 90391786
4-N-(3,3-dimethylbutan-2-yl)-2-N-methylpyridine-2,4-diamine
CID 104830614
4-N-decylpyrimidine-2,4-diamine
CID 56985914
4-N-(3,3-dimethylbutan-2-yl)-2-methylsulfanylpyrimidine-4,6-diamine
CID 104830518
4-N-octylpyrimidine-2,4-diamine
CID 18766008

Frequently Asked Questions

What is the IUPAC name of 4-N-(3,3-dimethylbutan-2-yl)pyrimidine-2,4-diamine?
The IUPAC name of 4-N-(3,3-dimethylbutan-2-yl)pyrimidine-2,4-diamine (CID 104830588) is 4-N-(3,3-dimethylbutan-2-yl)pyrimidine-2,4-diamine.
What is the SMILES notation for 4-N-(3,3-dimethylbutan-2-yl)pyrimidine-2,4-diamine?
The canonical SMILES for 4-N-(3,3-dimethylbutan-2-yl)pyrimidine-2,4-diamine is CC(Nc1ccnc(N)n1)C(C)(C)C.
What is the InChIKey of 4-N-(3,3-dimethylbutan-2-yl)pyrimidine-2,4-diamine?
The InChIKey is RLZXDPGWDXEOIA-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H18N4/c1-7(10(2,3)4)13-8-5-6-12-9(11)14-8/h5-7H,1-4H3,(H3,11,12,13,14).
What are the key properties of 4-N-(3,3-dimethylbutan-2-yl)pyrimidine-2,4-diamine?
4-N-(3,3-dimethylbutan-2-yl)pyrimidine-2,4-diamine has a molecular weight of 194.28 g/mol, XLogP of 1.91, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-N-(3,3-dimethylbutan-2-yl)pyrimidine-2,4-diamine is sourced from PubChem (CID 104830588), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).