2-cyclopropyl-4-N-(2,3-dimethylbutyl)-6-N-ethyl-5-methylpyrimidine-4,6-diamine

C16H28N4 — CID 80985256

IUPAC2-cyclopropyl-4-N-(2,3-dimethylbutyl)-6-N-ethyl-5-methylpyrimidine-4,6-diamine
SMILESCCNc1nc(C2CC2)nc(NCC(C)C(C)C)c1C
InChIInChI=1S/C16H28N4/c1-6-17-14-12(5)15(18-9-11(4)10(2)3)20-16(19-14)13-7-8-13/h10-11,13H,6-9H2,1-5H3,(H2,17,18,19,20)
InChIKeyCGKNUPPTUAQXBW-UHFFFAOYSA-N
MW276.43 g/mol
LogP3.80
Rot. Bonds7

About 2-cyclopropyl-4-N-(2,3-dimethylbutyl)-6-N-ethyl-5-methylpyrimidine-4,6-diamine

2-cyclopropyl-4-N-(2,3-dimethylbutyl)-6-N-ethyl-5-methylpyrimidine-4,6-diamine (PubChem CID 80985256) has the molecular formula C16H28N4 and a molecular weight of 276.43 g/mol. Its IUPAC name is 2-cyclopropyl-4-N-(2,3-dimethylbutyl)-6-N-ethyl-5-methylpyrimidine-4,6-diamine.

Molecular Properties

Compound Name2-cyclopropyl-4-N-(2,3-dimethylbutyl)-6-N-ethyl-5-methylpyrimidine-4,6-diamine
PubChem CID80985256
Molecular FormulaC16H28N4
Molecular Weight276.43 g/mol
Exact Mass276.23
IUPAC Name2-cyclopropyl-4-N-(2,3-dimethylbutyl)-6-N-ethyl-5-methylpyrimidine-4,6-diamine
SMILESCCNc1nc(C2CC2)nc(NCC(C)C(C)C)c1C
InChIInChI=1S/C16H28N4/c1-6-17-14-12(5)15(18-9-11(4)10(2)3)20-16(19-14)13-7-8-13/h10-11,13H,6-9H2,1-5H3,(H2,17,18,19,20)
InChIKeyCGKNUPPTUAQXBW-UHFFFAOYSA-N
XLogP3.80
TPSA49.84 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500276.43
LogP ≤ 53.80
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

2-cyclopropyl-N-ethyl-5-methyl-6-(2-methylpropyl)pyrimidin-4-amine
CID 80977208
2-cyclopropyl-5-methyl-4-N-(2-methylpropyl)-6-N-propylpyrimidine-4,6-diamine
CID 80980633
4-N-butyl-2-cyclopropyl-6-N-ethyl-5-methylpyrimidine-4,6-diamine
CID 80981195
2-cyclopropyl-6-N-ethyl-4-N-hexyl-5-methylpyrimidine-4,6-diamine
CID 80985625
4-N-butan-2-yl-2-cyclopropyl-4-N,6-N-diethyl-5-methylpyrimidine-4,6-diamine
CID 80994035
3-[[2-cyclopropyl-5-methyl-6-(propylamino)pyrimidin-4-yl]amino]-2-methylpropan-1-ol
CID 80992823
2-cyclopropyl-6-N-ethyl-5-methyl-4-N-(oxan-4-ylmethyl)pyrimidine-4,6-diamine
CID 80983688
2-cyclopropyl-6-N-ethyl-5-methyl-4-N-phenylpyrimidine-4,6-diamine
CID 80976188
2-cyclopropyl-N-ethyl-5-methyl-6-(3-methylbutoxy)pyrimidin-4-amine
CID 80989739
1-[[2-cyclopropyl-6-(ethylamino)-5-methylpyrimidin-4-yl]-methylamino]propan-2-ol
CID 80982456
2-cyclopropyl-N-ethyl-5-methyl-6-(2-methylbutylsulfanyl)pyrimidin-4-amine
CID 107765745
2-cyclopropyl-4-N-(3-methoxy-2-methylpropyl)-5-methyl-6-N-propylpyrimidine-4,6-diamine
CID 80984401

Frequently Asked Questions

What is the IUPAC name of 2-cyclopropyl-4-N-(2,3-dimethylbutyl)-6-N-ethyl-5-methylpyrimidine-4,6-diamine?
The IUPAC name of 2-cyclopropyl-4-N-(2,3-dimethylbutyl)-6-N-ethyl-5-methylpyrimidine-4,6-diamine (CID 80985256) is 2-cyclopropyl-4-N-(2,3-dimethylbutyl)-6-N-ethyl-5-methylpyrimidine-4,6-diamine.
What is the SMILES notation for 2-cyclopropyl-4-N-(2,3-dimethylbutyl)-6-N-ethyl-5-methylpyrimidine-4,6-diamine?
The canonical SMILES for 2-cyclopropyl-4-N-(2,3-dimethylbutyl)-6-N-ethyl-5-methylpyrimidine-4,6-diamine is CCNc1nc(C2CC2)nc(NCC(C)C(C)C)c1C.
What is the InChIKey of 2-cyclopropyl-4-N-(2,3-dimethylbutyl)-6-N-ethyl-5-methylpyrimidine-4,6-diamine?
The InChIKey is CGKNUPPTUAQXBW-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H28N4/c1-6-17-14-12(5)15(18-9-11(4)10(2)3)20-16(19-14)13-7-8-13/h10-11,13H,6-9H2,1-5H3,(H2,17,18,19,20).
What are the key properties of 2-cyclopropyl-4-N-(2,3-dimethylbutyl)-6-N-ethyl-5-methylpyrimidine-4,6-diamine?
2-cyclopropyl-4-N-(2,3-dimethylbutyl)-6-N-ethyl-5-methylpyrimidine-4,6-diamine has a molecular weight of 276.43 g/mol, XLogP of 3.80, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-cyclopropyl-4-N-(2,3-dimethylbutyl)-6-N-ethyl-5-methylpyrimidine-4,6-diamine is sourced from PubChem (CID 80985256), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).