3-[(2-amino-6-ethyl-5-methylpyrimidin-4-yl)amino]-N-cyclohexylpropanamide

C16H27N5O — CID 72885252

IUPAC3-[(2-amino-6-ethyl-5-methylpyrimidin-4-yl)amino]-N-cyclohexylpropanamide
SMILESCCc1nc(N)nc(NCCC(=O)NC2CCCCC2)c1C
InChIInChI=1S/C16H27N5O/c1-3-13-11(2)15(21-16(17)20-13)18-10-9-14(22)19-12-7-5-4-6-8-12/h12H,3-10H2,1-2H3,(H,19,22)(H3,17,18,20,21)
InChIKeyUJJYHRRRHJSGGF-UHFFFAOYSA-N
MW305.43 g/mol
LogP2.18
Rot. Bonds6

About 3-[(2-amino-6-ethyl-5-methylpyrimidin-4-yl)amino]-N-cyclohexylpropanamide

3-[(2-amino-6-ethyl-5-methylpyrimidin-4-yl)amino]-N-cyclohexylpropanamide (PubChem CID 72885252) has the molecular formula C16H27N5O and a molecular weight of 305.43 g/mol. Its IUPAC name is 3-[(2-amino-6-ethyl-5-methylpyrimidin-4-yl)amino]-N-cyclohexylpropanamide.

Molecular Properties

Compound Name3-[(2-amino-6-ethyl-5-methylpyrimidin-4-yl)amino]-N-cyclohexylpropanamide
PubChem CID72885252
Molecular FormulaC16H27N5O
Molecular Weight305.43 g/mol
Exact Mass305.22
IUPAC Name3-[(2-amino-6-ethyl-5-methylpyrimidin-4-yl)amino]-N-cyclohexylpropanamide
SMILESCCc1nc(N)nc(NCCC(=O)NC2CCCCC2)c1C
InChIInChI=1S/C16H27N5O/c1-3-13-11(2)15(21-16(17)20-13)18-10-9-14(22)19-12-7-5-4-6-8-12/h12H,3-10H2,1-2H3,(H,19,22)(H3,17,18,20,21)
InChIKeyUJJYHRRRHJSGGF-UHFFFAOYSA-N
XLogP2.18
TPSA92.93 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500305.43
LogP ≤ 52.18
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 3-[(2-amino-6-ethyl-5-methylpyrimidin-4-yl)amino]-N-cyclohexylpropanamide?
The IUPAC name of 3-[(2-amino-6-ethyl-5-methylpyrimidin-4-yl)amino]-N-cyclohexylpropanamide (CID 72885252) is 3-[(2-amino-6-ethyl-5-methylpyrimidin-4-yl)amino]-N-cyclohexylpropanamide.
What is the SMILES notation for 3-[(2-amino-6-ethyl-5-methylpyrimidin-4-yl)amino]-N-cyclohexylpropanamide?
The canonical SMILES for 3-[(2-amino-6-ethyl-5-methylpyrimidin-4-yl)amino]-N-cyclohexylpropanamide is CCc1nc(N)nc(NCCC(=O)NC2CCCCC2)c1C.
What is the InChIKey of 3-[(2-amino-6-ethyl-5-methylpyrimidin-4-yl)amino]-N-cyclohexylpropanamide?
The InChIKey is UJJYHRRRHJSGGF-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H27N5O/c1-3-13-11(2)15(21-16(17)20-13)18-10-9-14(22)19-12-7-5-4-6-8-12/h12H,3-10H2,1-2H3,(H,19,22)(H3,17,18,20,21).
What are the key properties of 3-[(2-amino-6-ethyl-5-methylpyrimidin-4-yl)amino]-N-cyclohexylpropanamide?
3-[(2-amino-6-ethyl-5-methylpyrimidin-4-yl)amino]-N-cyclohexylpropanamide has a molecular weight of 305.43 g/mol, XLogP of 2.18, 6 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(2-amino-6-ethyl-5-methylpyrimidin-4-yl)amino]-N-cyclohexylpropanamide is sourced from PubChem (CID 72885252), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).