(3S)-N-[2-(2-cyclopropylpyrimidin-5-yl)ethyl]oxane-3-carboxamide

C15H21N3O2 — CID 164629625

IUPAC(3S)-N-[2-(2-cyclopropylpyrimidin-5-yl)ethyl]oxane-3-carboxamide
SMILESO=C(NCCc1cnc(C2CC2)nc1)[C@H]1CCCOC1
InChIInChI=1S/C15H21N3O2/c19-15(13-2-1-7-20-10-13)16-6-5-11-8-17-14(18-9-11)12-3-4-12/h8-9,12-13H,1-7,10H2,(H,16,19)/t13-/m0/s1
InChIKeyHIGDNVKPRAYSAU-ZDUSSCGKSA-N
MW275.35 g/mol
LogP1.44
Rot. Bonds5

About (3S)-N-[2-(2-cyclopropylpyrimidin-5-yl)ethyl]oxane-3-carboxamide

(3S)-N-[2-(2-cyclopropylpyrimidin-5-yl)ethyl]oxane-3-carboxamide (PubChem CID 164629625) has the molecular formula C15H21N3O2 and a molecular weight of 275.35 g/mol. Its IUPAC name is (3S)-N-[2-(2-cyclopropylpyrimidin-5-yl)ethyl]oxane-3-carboxamide.

Molecular Properties

Compound Name(3S)-N-[2-(2-cyclopropylpyrimidin-5-yl)ethyl]oxane-3-carboxamide
PubChem CID164629625
Molecular FormulaC15H21N3O2
Molecular Weight275.35 g/mol
Exact Mass275.16
IUPAC Name(3S)-N-[2-(2-cyclopropylpyrimidin-5-yl)ethyl]oxane-3-carboxamide
SMILESO=C(NCCc1cnc(C2CC2)nc1)[C@H]1CCCOC1
InChIInChI=1S/C15H21N3O2/c19-15(13-2-1-7-20-10-13)16-6-5-11-8-17-14(18-9-11)12-3-4-12/h8-9,12-13H,1-7,10H2,(H,16,19)/t13-/m0/s1
InChIKeyHIGDNVKPRAYSAU-ZDUSSCGKSA-N
XLogP1.44
TPSA64.11 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500275.35
LogP ≤ 51.44
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

4-[2-(oxane-3-carbonylamino)ethyl]benzenesulfonyl chloride
CID 63011176
3-[2-[[(3S)-oxane-3-carbonyl]amino]ethyl]benzoic acid
CID 129379154
3-[2-(oxane-3-carbonylamino)ethyl]benzoic acid
CID 63794571
N-(3-amino-3-sulfanylidenepropyl)oxane-3-carboxamide
CID 63014889
4-[2-(oxolane-3-carbonylamino)ethyl]benzenesulfonyl chloride
CID 61272579
2-[2-(oxan-3-yl)pyrimidin-5-yl]ethanamine
CID 65333628
N-(4-iodobutyl)oxane-3-carboxamide
CID 106846215
N-[2-(1H-indol-3-yl)ethyl]oxane-3-carboxamide
CID 110853395
N-[2-(2,4,6-trichlorophenoxy)ethyl]oxane-3-carboxamide
CID 75424722
2-[2-(oxane-3-carbonylamino)ethoxy]acetic acid
CID 79457821
N-(5-amino-4-methylpentyl)oxane-3-carboxamide
CID 106153124
N-[2-[4-(6-methyl-2-pyridinyl)piperidin-1-yl]ethyl]oxane-3-carboxamide
CID 146329997

Frequently Asked Questions

What is the IUPAC name of (3S)-N-[2-(2-cyclopropylpyrimidin-5-yl)ethyl]oxane-3-carboxamide?
The IUPAC name of (3S)-N-[2-(2-cyclopropylpyrimidin-5-yl)ethyl]oxane-3-carboxamide (CID 164629625) is (3S)-N-[2-(2-cyclopropylpyrimidin-5-yl)ethyl]oxane-3-carboxamide.
What is the SMILES notation for (3S)-N-[2-(2-cyclopropylpyrimidin-5-yl)ethyl]oxane-3-carboxamide?
The canonical SMILES for (3S)-N-[2-(2-cyclopropylpyrimidin-5-yl)ethyl]oxane-3-carboxamide is O=C(NCCc1cnc(C2CC2)nc1)[C@H]1CCCOC1.
What is the InChIKey of (3S)-N-[2-(2-cyclopropylpyrimidin-5-yl)ethyl]oxane-3-carboxamide?
The InChIKey is HIGDNVKPRAYSAU-ZDUSSCGKSA-N. The full InChI is InChI=1S/C15H21N3O2/c19-15(13-2-1-7-20-10-13)16-6-5-11-8-17-14(18-9-11)12-3-4-12/h8-9,12-13H,1-7,10H2,(H,16,19)/t13-/m0/s1.
What are the key properties of (3S)-N-[2-(2-cyclopropylpyrimidin-5-yl)ethyl]oxane-3-carboxamide?
(3S)-N-[2-(2-cyclopropylpyrimidin-5-yl)ethyl]oxane-3-carboxamide has a molecular weight of 275.35 g/mol, XLogP of 1.44, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (3S)-N-[2-(2-cyclopropylpyrimidin-5-yl)ethyl]oxane-3-carboxamide is sourced from PubChem (CID 164629625), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).