4-N-butan-2-yl-5-ethyl-4-N-methylpyrimidine-4,6-diamine

C11H20N4 — CID 80776680

IUPAC4-N-butan-2-yl-5-ethyl-4-N-methylpyrimidine-4,6-diamine
SMILESCCc1c(N)ncnc1N(C)C(C)CC
InChIInChI=1S/C11H20N4/c1-5-8(3)15(4)11-9(6-2)10(12)13-7-14-11/h7-8H,5-6H2,1-4H3,(H2,12,13,14)
InChIKeyIBBYKSYOWSUXDH-UHFFFAOYSA-N
MW208.31 g/mol
LogP1.86
Rot. Bonds4

About 4-N-butan-2-yl-5-ethyl-4-N-methylpyrimidine-4,6-diamine

4-N-butan-2-yl-5-ethyl-4-N-methylpyrimidine-4,6-diamine (PubChem CID 80776680) has the molecular formula C11H20N4 and a molecular weight of 208.31 g/mol. Its IUPAC name is 4-N-butan-2-yl-5-ethyl-4-N-methylpyrimidine-4,6-diamine.

Molecular Properties

Compound Name4-N-butan-2-yl-5-ethyl-4-N-methylpyrimidine-4,6-diamine
PubChem CID80776680
Molecular FormulaC11H20N4
Molecular Weight208.31 g/mol
Exact Mass208.17
IUPAC Name4-N-butan-2-yl-5-ethyl-4-N-methylpyrimidine-4,6-diamine
SMILESCCc1c(N)ncnc1N(C)C(C)CC
InChIInChI=1S/C11H20N4/c1-5-8(3)15(4)11-9(6-2)10(12)13-7-14-11/h7-8H,5-6H2,1-4H3,(H2,12,13,14)
InChIKeyIBBYKSYOWSUXDH-UHFFFAOYSA-N
XLogP1.86
TPSA55.04 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500208.31
LogP ≤ 51.86
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

3-[(6-amino-5-ethylpyrimidin-4-yl)-methylamino]butanenitrile
CID 80828255
5-ethyl-4-N,4-N-bis(3-methylbutyl)pyrimidine-4,6-diamine
CID 107871762
2-[(6-amino-5-ethylpyrimidin-4-yl)-propan-2-ylamino]ethanol
CID 80811308
4-N-butan-2-yl-6-N-ethyl-4-N-methyl-5-propylpyrimidine-4,6-diamine
CID 80775365
5-ethyl-4-N-methyl-4-N-(3,3,3-trifluoropropyl)pyrimidine-4,6-diamine
CID 80847664
3-[(6-amino-5-propan-2-ylpyrimidin-4-yl)-methylamino]butanenitrile
CID 80828643
N-butan-2-yl-6-chloro-N,5-dimethylpyrimidin-4-amine
CID 63729764
4-N-butyl-4-N,5-diethylpyrimidine-4,6-diamine
CID 80754266
2-[(6-amino-5-propan-2-ylpyrimidin-4-yl)-methylamino]propan-1-ol
CID 104557069
4-N-butan-2-yl-4-N-butyl-5-propylpyrimidine-4,6-diamine
CID 80821387
2-[(6-amino-5-ethylpyrimidin-4-yl)-methylamino]-N-methylacetamide
CID 80780164
5-ethyl-6-hydrazinyl-N-methyl-N-pentan-3-ylpyrimidin-4-amine
CID 80906749

Frequently Asked Questions

What is the IUPAC name of 4-N-butan-2-yl-5-ethyl-4-N-methylpyrimidine-4,6-diamine?
The IUPAC name of 4-N-butan-2-yl-5-ethyl-4-N-methylpyrimidine-4,6-diamine (CID 80776680) is 4-N-butan-2-yl-5-ethyl-4-N-methylpyrimidine-4,6-diamine.
What is the SMILES notation for 4-N-butan-2-yl-5-ethyl-4-N-methylpyrimidine-4,6-diamine?
The canonical SMILES for 4-N-butan-2-yl-5-ethyl-4-N-methylpyrimidine-4,6-diamine is CCc1c(N)ncnc1N(C)C(C)CC.
What is the InChIKey of 4-N-butan-2-yl-5-ethyl-4-N-methylpyrimidine-4,6-diamine?
The InChIKey is IBBYKSYOWSUXDH-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H20N4/c1-5-8(3)15(4)11-9(6-2)10(12)13-7-14-11/h7-8H,5-6H2,1-4H3,(H2,12,13,14).
What are the key properties of 4-N-butan-2-yl-5-ethyl-4-N-methylpyrimidine-4,6-diamine?
4-N-butan-2-yl-5-ethyl-4-N-methylpyrimidine-4,6-diamine has a molecular weight of 208.31 g/mol, XLogP of 1.86, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-N-butan-2-yl-5-ethyl-4-N-methylpyrimidine-4,6-diamine is sourced from PubChem (CID 80776680), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).