3-[1-(2-amino-5-ethylpyrimidin-4-yl)piperidin-4-yl]-N-cyclopropylpropanamide

C17H27N5O — CID 72851258

IUPAC3-[1-(2-amino-5-ethylpyrimidin-4-yl)piperidin-4-yl]-N-cyclopropylpropanamide
SMILESCCc1cnc(N)nc1N1CCC(CCC(=O)NC2CC2)CC1
InChIInChI=1S/C17H27N5O/c1-2-13-11-19-17(18)21-16(13)22-9-7-12(8-10-22)3-6-15(23)20-14-4-5-14/h11-12,14H,2-10H2,1H3,(H,20,23)(H2,18,19,21)
InChIKeyPXESJZWJLQBYGY-UHFFFAOYSA-N
MW317.44 g/mol
LogP1.90
Rot. Bonds6

About 3-[1-(2-amino-5-ethylpyrimidin-4-yl)piperidin-4-yl]-N-cyclopropylpropanamide

3-[1-(2-amino-5-ethylpyrimidin-4-yl)piperidin-4-yl]-N-cyclopropylpropanamide (PubChem CID 72851258) has the molecular formula C17H27N5O and a molecular weight of 317.44 g/mol. Its IUPAC name is 3-[1-(2-amino-5-ethylpyrimidin-4-yl)piperidin-4-yl]-N-cyclopropylpropanamide.

Molecular Properties

Compound Name3-[1-(2-amino-5-ethylpyrimidin-4-yl)piperidin-4-yl]-N-cyclopropylpropanamide
PubChem CID72851258
Molecular FormulaC17H27N5O
Molecular Weight317.44 g/mol
Exact Mass317.22
IUPAC Name3-[1-(2-amino-5-ethylpyrimidin-4-yl)piperidin-4-yl]-N-cyclopropylpropanamide
SMILESCCc1cnc(N)nc1N1CCC(CCC(=O)NC2CC2)CC1
InChIInChI=1S/C17H27N5O/c1-2-13-11-19-17(18)21-16(13)22-9-7-12(8-10-22)3-6-15(23)20-14-4-5-14/h11-12,14H,2-10H2,1H3,(H,20,23)(H2,18,19,21)
InChIKeyPXESJZWJLQBYGY-UHFFFAOYSA-N
XLogP1.90
TPSA84.14 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500317.44
LogP ≤ 51.90
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 3-[1-(2-amino-5-ethylpyrimidin-4-yl)piperidin-4-yl]-N-cyclopropylpropanamide?
The IUPAC name of 3-[1-(2-amino-5-ethylpyrimidin-4-yl)piperidin-4-yl]-N-cyclopropylpropanamide (CID 72851258) is 3-[1-(2-amino-5-ethylpyrimidin-4-yl)piperidin-4-yl]-N-cyclopropylpropanamide.
What is the SMILES notation for 3-[1-(2-amino-5-ethylpyrimidin-4-yl)piperidin-4-yl]-N-cyclopropylpropanamide?
The canonical SMILES for 3-[1-(2-amino-5-ethylpyrimidin-4-yl)piperidin-4-yl]-N-cyclopropylpropanamide is CCc1cnc(N)nc1N1CCC(CCC(=O)NC2CC2)CC1.
What is the InChIKey of 3-[1-(2-amino-5-ethylpyrimidin-4-yl)piperidin-4-yl]-N-cyclopropylpropanamide?
The InChIKey is PXESJZWJLQBYGY-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H27N5O/c1-2-13-11-19-17(18)21-16(13)22-9-7-12(8-10-22)3-6-15(23)20-14-4-5-14/h11-12,14H,2-10H2,1H3,(H,20,23)(H2,18,19,21).
What are the key properties of 3-[1-(2-amino-5-ethylpyrimidin-4-yl)piperidin-4-yl]-N-cyclopropylpropanamide?
3-[1-(2-amino-5-ethylpyrimidin-4-yl)piperidin-4-yl]-N-cyclopropylpropanamide has a molecular weight of 317.44 g/mol, XLogP of 1.90, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[1-(2-amino-5-ethylpyrimidin-4-yl)piperidin-4-yl]-N-cyclopropylpropanamide is sourced from PubChem (CID 72851258), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).