6-N,2-diethyl-4-N-(3-methylbutan-2-yl)pyrimidine-4,6-diamine

C13H24N4 — CID 80933317

IUPAC6-N,2-diethyl-4-N-(3-methylbutan-2-yl)pyrimidine-4,6-diamine
SMILESCCNc1cc(NC(C)C(C)C)nc(CC)n1
InChIInChI=1S/C13H24N4/c1-6-11-16-12(14-7-2)8-13(17-11)15-10(5)9(3)4/h8-10H,6-7H2,1-5H3,(H2,14,15,16,17)
InChIKeyXRMINWKEYTUYTH-UHFFFAOYSA-N
MW236.36 g/mol
LogP2.93
Rot. Bonds6

About 6-N,2-diethyl-4-N-(3-methylbutan-2-yl)pyrimidine-4,6-diamine

6-N,2-diethyl-4-N-(3-methylbutan-2-yl)pyrimidine-4,6-diamine (PubChem CID 80933317) has the molecular formula C13H24N4 and a molecular weight of 236.36 g/mol. Its IUPAC name is 6-N,2-diethyl-4-N-(3-methylbutan-2-yl)pyrimidine-4,6-diamine.

Molecular Properties

Compound Name6-N,2-diethyl-4-N-(3-methylbutan-2-yl)pyrimidine-4,6-diamine
PubChem CID80933317
Molecular FormulaC13H24N4
Molecular Weight236.36 g/mol
Exact Mass236.20
IUPAC Name6-N,2-diethyl-4-N-(3-methylbutan-2-yl)pyrimidine-4,6-diamine
SMILESCCNc1cc(NC(C)C(C)C)nc(CC)n1
InChIInChI=1S/C13H24N4/c1-6-11-16-12(14-7-2)8-13(17-11)15-10(5)9(3)4/h8-10H,6-7H2,1-5H3,(H2,14,15,16,17)
InChIKeyXRMINWKEYTUYTH-UHFFFAOYSA-N
XLogP2.93
TPSA49.84 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500236.36
LogP ≤ 52.93
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze 6-N,2-diethyl-4-N-(3-methylbutan-2-yl)pyrimidine-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

6-N,2-diethyl-4-N-(1-methoxypropan-2-yl)pyrimidine-4,6-diamine
CID 80933516
6-N-ethyl-4-N-(3-methylbutan-2-yl)-2-phenylpyrimidine-4,6-diamine
CID 115915170
6-N,2-diethyl-4-N-[1-(4-fluorophenyl)ethyl]pyrimidine-4,6-diamine
CID 80940032
6-N,2-diethyl-4-N-[1-(4-methyl-1,3-thiazol-2-yl)ethyl]pyrimidine-4,6-diamine
CID 80942180
6-N,2-diethyl-4-N-[1-(2-fluorophenyl)ethyl]pyrimidine-4,6-diamine
CID 80940133
4-N-(3,5-dimethylphenyl)-6-N,2-diethylpyrimidine-4,6-diamine
CID 80934313
6-N,2-diethyl-4-N-methyl-4-N-(3-methylbutan-2-yl)pyrimidine-4,6-diamine
CID 80933374
4-N-(3-methylbutan-2-yl)-6-N-propylpyrimidine-2,4,6-triamine
CID 80753696
3-[[2-ethyl-6-(ethylamino)pyrimidin-4-yl]amino]-4-methoxybutan-1-ol
CID 106163088
2-ethyl-6-hydrazinyl-N-propan-2-ylpyrimidin-4-amine
CID 80937642
6-N,2-diethyl-4-N-(1,2-oxazol-3-ylmethyl)pyrimidine-4,6-diamine
CID 81173601
3-[[2-ethyl-6-(ethylamino)pyrimidin-4-yl]amino]-2,2-dimethylpropan-1-ol
CID 115366433

Frequently Asked Questions

What is the IUPAC name of 6-N,2-diethyl-4-N-(3-methylbutan-2-yl)pyrimidine-4,6-diamine?
The IUPAC name of 6-N,2-diethyl-4-N-(3-methylbutan-2-yl)pyrimidine-4,6-diamine (CID 80933317) is 6-N,2-diethyl-4-N-(3-methylbutan-2-yl)pyrimidine-4,6-diamine.
What is the SMILES notation for 6-N,2-diethyl-4-N-(3-methylbutan-2-yl)pyrimidine-4,6-diamine?
The canonical SMILES for 6-N,2-diethyl-4-N-(3-methylbutan-2-yl)pyrimidine-4,6-diamine is CCNc1cc(NC(C)C(C)C)nc(CC)n1.
What is the InChIKey of 6-N,2-diethyl-4-N-(3-methylbutan-2-yl)pyrimidine-4,6-diamine?
The InChIKey is XRMINWKEYTUYTH-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H24N4/c1-6-11-16-12(14-7-2)8-13(17-11)15-10(5)9(3)4/h8-10H,6-7H2,1-5H3,(H2,14,15,16,17).
What are the key properties of 6-N,2-diethyl-4-N-(3-methylbutan-2-yl)pyrimidine-4,6-diamine?
6-N,2-diethyl-4-N-(3-methylbutan-2-yl)pyrimidine-4,6-diamine has a molecular weight of 236.36 g/mol, XLogP of 2.93, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-N,2-diethyl-4-N-(3-methylbutan-2-yl)pyrimidine-4,6-diamine is sourced from PubChem (CID 80933317), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).