4-N-ethyl-5-methyl-4-N-(2-methylbutyl)-2-propan-2-ylpyrimidine-4,6-diamine

C15H28N4 — CID 80992209

IUPAC4-N-ethyl-5-methyl-4-N-(2-methylbutyl)-2-propan-2-ylpyrimidine-4,6-diamine
SMILESCCC(C)CN(CC)c1nc(C(C)C)nc(N)c1C
InChIInChI=1S/C15H28N4/c1-7-11(5)9-19(8-2)15-12(6)13(16)17-14(18-15)10(3)4/h10-11H,7-9H2,1-6H3,(H2,16,17,18)
InChIKeyFCQMTAQUFGFPPM-UHFFFAOYSA-N
MW264.42 g/mol
LogP3.36
Rot. Bonds6

About 4-N-ethyl-5-methyl-4-N-(2-methylbutyl)-2-propan-2-ylpyrimidine-4,6-diamine

4-N-ethyl-5-methyl-4-N-(2-methylbutyl)-2-propan-2-ylpyrimidine-4,6-diamine (PubChem CID 80992209) has the molecular formula C15H28N4 and a molecular weight of 264.42 g/mol. Its IUPAC name is 4-N-ethyl-5-methyl-4-N-(2-methylbutyl)-2-propan-2-ylpyrimidine-4,6-diamine.

Molecular Properties

Compound Name4-N-ethyl-5-methyl-4-N-(2-methylbutyl)-2-propan-2-ylpyrimidine-4,6-diamine
PubChem CID80992209
Molecular FormulaC15H28N4
Molecular Weight264.42 g/mol
Exact Mass264.23
IUPAC Name4-N-ethyl-5-methyl-4-N-(2-methylbutyl)-2-propan-2-ylpyrimidine-4,6-diamine
SMILESCCC(C)CN(CC)c1nc(C(C)C)nc(N)c1C
InChIInChI=1S/C15H28N4/c1-7-11(5)9-19(8-2)15-12(6)13(16)17-14(18-15)10(3)4/h10-11H,7-9H2,1-6H3,(H2,16,17,18)
InChIKeyFCQMTAQUFGFPPM-UHFFFAOYSA-N
XLogP3.36
TPSA55.04 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500264.42
LogP ≤ 53.36
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

4-N-ethyl-5-methyl-2-propan-2-yl-4-N-propylpyrimidine-4,6-diamine
CID 80993450
N-ethyl-6-hydrazinyl-5-methyl-N-(2-methylbutyl)-2-propan-2-ylpyrimidin-4-amine
CID 81006834
4-N,4-N-dibutyl-5-methyl-2-propan-2-ylpyrimidine-4,6-diamine
CID 80976255
4-N-(cyclobutylmethyl)-4-N-ethyl-5-methyl-2-propan-2-ylpyrimidine-4,6-diamine
CID 107403147
4-N,5-dimethyl-4-N-pentan-3-yl-2-propan-2-ylpyrimidine-4,6-diamine
CID 80993583
4-N,5-dimethyl-2-propan-2-yl-4-N-propylpyrimidine-4,6-diamine
CID 80993107
2-[(6-amino-5-methyl-2-propan-2-ylpyrimidin-4-yl)-methylamino]propan-1-ol
CID 113426551
3-N-ethyl-3-N-(2-methylbutyl)quinoxaline-2,3-diamine
CID 102986815
3-chloro-N-ethyl-5,6-dimethyl-N-(2-methylbutyl)pyrazin-2-amine
CID 79470519
2-cyclopropyl-4-N-ethyl-4-N-(2-ethylbutyl)-5-methylpyrimidine-4,6-diamine
CID 80987255
4-N-ethyl-4-N-(2-fluorophenyl)-5-methyl-2-propan-2-ylpyrimidine-4,6-diamine
CID 80984714
4-N-(cyclopropylmethyl)-5-methyl-4-N,2-di(propan-2-yl)pyrimidine-4,6-diamine
CID 80982410

Frequently Asked Questions

What is the IUPAC name of 4-N-ethyl-5-methyl-4-N-(2-methylbutyl)-2-propan-2-ylpyrimidine-4,6-diamine?
The IUPAC name of 4-N-ethyl-5-methyl-4-N-(2-methylbutyl)-2-propan-2-ylpyrimidine-4,6-diamine (CID 80992209) is 4-N-ethyl-5-methyl-4-N-(2-methylbutyl)-2-propan-2-ylpyrimidine-4,6-diamine.
What is the SMILES notation for 4-N-ethyl-5-methyl-4-N-(2-methylbutyl)-2-propan-2-ylpyrimidine-4,6-diamine?
The canonical SMILES for 4-N-ethyl-5-methyl-4-N-(2-methylbutyl)-2-propan-2-ylpyrimidine-4,6-diamine is CCC(C)CN(CC)c1nc(C(C)C)nc(N)c1C.
What is the InChIKey of 4-N-ethyl-5-methyl-4-N-(2-methylbutyl)-2-propan-2-ylpyrimidine-4,6-diamine?
The InChIKey is FCQMTAQUFGFPPM-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H28N4/c1-7-11(5)9-19(8-2)15-12(6)13(16)17-14(18-15)10(3)4/h10-11H,7-9H2,1-6H3,(H2,16,17,18).
What are the key properties of 4-N-ethyl-5-methyl-4-N-(2-methylbutyl)-2-propan-2-ylpyrimidine-4,6-diamine?
4-N-ethyl-5-methyl-4-N-(2-methylbutyl)-2-propan-2-ylpyrimidine-4,6-diamine has a molecular weight of 264.42 g/mol, XLogP of 3.36, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-N-ethyl-5-methyl-4-N-(2-methylbutyl)-2-propan-2-ylpyrimidine-4,6-diamine is sourced from PubChem (CID 80992209), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).