4-[2-[(2-cyclopentylacetyl)amino]ethyl]-2-(cyclopropylamino)pyrimidine-5-carboxamide

C17H25N5O2 — CID 92619509

IUPAC4-[2-[(2-cyclopentylacetyl)amino]ethyl]-2-(cyclopropylamino)pyrimidine-5-carboxamide
SMILESNC(=O)c1cnc(NC2CC2)nc1CCNC(=O)CC1CCCC1
InChIInChI=1S/C17H25N5O2/c18-16(24)13-10-20-17(21-12-5-6-12)22-14(13)7-8-19-15(23)9-11-3-1-2-4-11/h10-12H,1-9H2,(H2,18,24)(H,19,23)(H,20,21,22)
InChIKeyPMJNWVXDUSASGX-UHFFFAOYSA-N
MW331.42 g/mol
LogP1.39
Rot. Bonds8

About 4-[2-[(2-cyclopentylacetyl)amino]ethyl]-2-(cyclopropylamino)pyrimidine-5-carboxamide

4-[2-[(2-cyclopentylacetyl)amino]ethyl]-2-(cyclopropylamino)pyrimidine-5-carboxamide (PubChem CID 92619509) has the molecular formula C17H25N5O2 and a molecular weight of 331.42 g/mol. Its IUPAC name is 4-[2-[(2-cyclopentylacetyl)amino]ethyl]-2-(cyclopropylamino)pyrimidine-5-carboxamide.

Molecular Properties

Compound Name4-[2-[(2-cyclopentylacetyl)amino]ethyl]-2-(cyclopropylamino)pyrimidine-5-carboxamide
PubChem CID92619509
Molecular FormulaC17H25N5O2
Molecular Weight331.42 g/mol
Exact Mass331.20
IUPAC Name4-[2-[(2-cyclopentylacetyl)amino]ethyl]-2-(cyclopropylamino)pyrimidine-5-carboxamide
SMILESNC(=O)c1cnc(NC2CC2)nc1CCNC(=O)CC1CCCC1
InChIInChI=1S/C17H25N5O2/c18-16(24)13-10-20-17(21-12-5-6-12)22-14(13)7-8-19-15(23)9-11-3-1-2-4-11/h10-12H,1-9H2,(H2,18,24)(H,19,23)(H,20,21,22)
InChIKeyPMJNWVXDUSASGX-UHFFFAOYSA-N
XLogP1.39
TPSA110.00 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500331.42
LogP ≤ 51.39
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 4-[2-[(2-cyclopentylacetyl)amino]ethyl]-2-(cyclopropylamino)pyrimidine-5-carboxamide?
The IUPAC name of 4-[2-[(2-cyclopentylacetyl)amino]ethyl]-2-(cyclopropylamino)pyrimidine-5-carboxamide (CID 92619509) is 4-[2-[(2-cyclopentylacetyl)amino]ethyl]-2-(cyclopropylamino)pyrimidine-5-carboxamide.
What is the SMILES notation for 4-[2-[(2-cyclopentylacetyl)amino]ethyl]-2-(cyclopropylamino)pyrimidine-5-carboxamide?
The canonical SMILES for 4-[2-[(2-cyclopentylacetyl)amino]ethyl]-2-(cyclopropylamino)pyrimidine-5-carboxamide is NC(=O)c1cnc(NC2CC2)nc1CCNC(=O)CC1CCCC1.
What is the InChIKey of 4-[2-[(2-cyclopentylacetyl)amino]ethyl]-2-(cyclopropylamino)pyrimidine-5-carboxamide?
The InChIKey is PMJNWVXDUSASGX-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H25N5O2/c18-16(24)13-10-20-17(21-12-5-6-12)22-14(13)7-8-19-15(23)9-11-3-1-2-4-11/h10-12H,1-9H2,(H2,18,24)(H,19,23)(H,20,21,22).
What are the key properties of 4-[2-[(2-cyclopentylacetyl)amino]ethyl]-2-(cyclopropylamino)pyrimidine-5-carboxamide?
4-[2-[(2-cyclopentylacetyl)amino]ethyl]-2-(cyclopropylamino)pyrimidine-5-carboxamide has a molecular weight of 331.42 g/mol, XLogP of 1.39, 8 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[2-[(2-cyclopentylacetyl)amino]ethyl]-2-(cyclopropylamino)pyrimidine-5-carboxamide is sourced from PubChem (CID 92619509), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).