3-[(2-amino-5-ethylpyrimidin-4-yl)amino]-N-cyclohexylpropanamide

C15H25N5O — CID 72865900

IUPAC3-[(2-amino-5-ethylpyrimidin-4-yl)amino]-N-cyclohexylpropanamide
SMILESCCc1cnc(N)nc1NCCC(=O)NC1CCCCC1
InChIInChI=1S/C15H25N5O/c1-2-11-10-18-15(16)20-14(11)17-9-8-13(21)19-12-6-4-3-5-7-12/h10,12H,2-9H2,1H3,(H,19,21)(H3,16,17,18,20)
InChIKeyRJTYELLXJGAUMQ-UHFFFAOYSA-N
MW291.40 g/mol
LogP1.87
Rot. Bonds6

About 3-[(2-amino-5-ethylpyrimidin-4-yl)amino]-N-cyclohexylpropanamide

3-[(2-amino-5-ethylpyrimidin-4-yl)amino]-N-cyclohexylpropanamide (PubChem CID 72865900) has the molecular formula C15H25N5O and a molecular weight of 291.40 g/mol. Its IUPAC name is 3-[(2-amino-5-ethylpyrimidin-4-yl)amino]-N-cyclohexylpropanamide.

Molecular Properties

Compound Name3-[(2-amino-5-ethylpyrimidin-4-yl)amino]-N-cyclohexylpropanamide
PubChem CID72865900
Molecular FormulaC15H25N5O
Molecular Weight291.40 g/mol
Exact Mass291.21
IUPAC Name3-[(2-amino-5-ethylpyrimidin-4-yl)amino]-N-cyclohexylpropanamide
SMILESCCc1cnc(N)nc1NCCC(=O)NC1CCCCC1
InChIInChI=1S/C15H25N5O/c1-2-11-10-18-15(16)20-14(11)17-9-8-13(21)19-12-6-4-3-5-7-12/h10,12H,2-9H2,1H3,(H,19,21)(H3,16,17,18,20)
InChIKeyRJTYELLXJGAUMQ-UHFFFAOYSA-N
XLogP1.87
TPSA92.93 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500291.40
LogP ≤ 51.87
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 3-[(2-amino-5-ethylpyrimidin-4-yl)amino]-N-cyclohexylpropanamide?
The IUPAC name of 3-[(2-amino-5-ethylpyrimidin-4-yl)amino]-N-cyclohexylpropanamide (CID 72865900) is 3-[(2-amino-5-ethylpyrimidin-4-yl)amino]-N-cyclohexylpropanamide.
What is the SMILES notation for 3-[(2-amino-5-ethylpyrimidin-4-yl)amino]-N-cyclohexylpropanamide?
The canonical SMILES for 3-[(2-amino-5-ethylpyrimidin-4-yl)amino]-N-cyclohexylpropanamide is CCc1cnc(N)nc1NCCC(=O)NC1CCCCC1.
What is the InChIKey of 3-[(2-amino-5-ethylpyrimidin-4-yl)amino]-N-cyclohexylpropanamide?
The InChIKey is RJTYELLXJGAUMQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H25N5O/c1-2-11-10-18-15(16)20-14(11)17-9-8-13(21)19-12-6-4-3-5-7-12/h10,12H,2-9H2,1H3,(H,19,21)(H3,16,17,18,20).
What are the key properties of 3-[(2-amino-5-ethylpyrimidin-4-yl)amino]-N-cyclohexylpropanamide?
3-[(2-amino-5-ethylpyrimidin-4-yl)amino]-N-cyclohexylpropanamide has a molecular weight of 291.40 g/mol, XLogP of 1.87, 6 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(2-amino-5-ethylpyrimidin-4-yl)amino]-N-cyclohexylpropanamide is sourced from PubChem (CID 72865900), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).