3-(cyclopropylmethyl)-N-(4-cyclopropylpyrimidin-2-yl)morpholine-4-carboxamide

C16H22N4O2 — CID 138007003

IUPAC3-(cyclopropylmethyl)-N-(4-cyclopropylpyrimidin-2-yl)morpholine-4-carboxamide
SMILESO=C(Nc1nccc(C2CC2)n1)N1CCOCC1CC1CC1
InChIInChI=1S/C16H22N4O2/c21-16(19-15-17-6-5-14(18-15)12-3-4-12)20-7-8-22-10-13(20)9-11-1-2-11/h5-6,11-13H,1-4,7-10H2,(H,17,18,19,21)
InChIKeyDQDMHQOAJWLQEC-UHFFFAOYSA-N
MW302.38 g/mol
LogP2.39
Rot. Bonds4

About 3-(cyclopropylmethyl)-N-(4-cyclopropylpyrimidin-2-yl)morpholine-4-carboxamide

3-(cyclopropylmethyl)-N-(4-cyclopropylpyrimidin-2-yl)morpholine-4-carboxamide (PubChem CID 138007003) has the molecular formula C16H22N4O2 and a molecular weight of 302.38 g/mol. Its IUPAC name is 3-(cyclopropylmethyl)-N-(4-cyclopropylpyrimidin-2-yl)morpholine-4-carboxamide.

Molecular Properties

Compound Name3-(cyclopropylmethyl)-N-(4-cyclopropylpyrimidin-2-yl)morpholine-4-carboxamide
PubChem CID138007003
Molecular FormulaC16H22N4O2
Molecular Weight302.38 g/mol
Exact Mass302.17
IUPAC Name3-(cyclopropylmethyl)-N-(4-cyclopropylpyrimidin-2-yl)morpholine-4-carboxamide
SMILESO=C(Nc1nccc(C2CC2)n1)N1CCOCC1CC1CC1
InChIInChI=1S/C16H22N4O2/c21-16(19-15-17-6-5-14(18-15)12-3-4-12)20-7-8-22-10-13(20)9-11-1-2-11/h5-6,11-13H,1-4,7-10H2,(H,17,18,19,21)
InChIKeyDQDMHQOAJWLQEC-UHFFFAOYSA-N
XLogP2.39
TPSA67.35 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500302.38
LogP ≤ 52.39
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

3-(cyclopropylmethyl)-N-pyrazolo[1,5-a]pyridin-7-ylmorpholine-4-carboxamide
CID 154784953
[3-(cyclopropylmethyl)morpholin-4-yl]-(7H-pyrrolo[2,3-d]pyrimidin-4-yl)methanone
CID 136566415
[3-(cyclopropylmethyl)morpholin-4-yl]-(2-pyrazol-1-yl-4-pyridinyl)methanone
CID 136566386
N-(4-cyclopropylpyrimidin-2-yl)-2-thiophen-2-ylpyrrolidine-1-carboxamide
CID 138047918
N-[(2-methoxy-4-pyridinyl)methyl]-3-(oxan-4-ylmethyl)morpholine-4-carboxamide
CID 136568232
N-(3-methyltriazol-4-yl)-3-(oxan-4-ylmethyl)morpholine-4-carboxamide
CID 138025218
(3R)-3-(hydroxymethyl)-N-isoquinolin-5-ylmorpholine-4-carboxamide
CID 97433996
1-[3-(oxan-4-ylmethyl)morpholin-4-yl]-3-pyridin-2-ylpropan-1-one
CID 136567968
3-[(3-ethylmorpholine-4-carbonyl)amino]pyridine-2-carboxylic acid
CID 104743315
3-ethyl-N-[2-(2,2,2-trifluoroethoxy)-4-pyridinyl]morpholine-4-carboxamide
CID 138042517
[(3S)-3-ethylmorpholin-4-yl]-[2-(methylamino)-4-pyridinyl]methanone
CID 70772603
N-[2-[3-(cyclopropylmethyl)morpholin-4-yl]-2-oxoethyl]-1-methylimidazole-4-sulfonamide
CID 136566388

Frequently Asked Questions

What is the IUPAC name of 3-(cyclopropylmethyl)-N-(4-cyclopropylpyrimidin-2-yl)morpholine-4-carboxamide?
The IUPAC name of 3-(cyclopropylmethyl)-N-(4-cyclopropylpyrimidin-2-yl)morpholine-4-carboxamide (CID 138007003) is 3-(cyclopropylmethyl)-N-(4-cyclopropylpyrimidin-2-yl)morpholine-4-carboxamide.
What is the SMILES notation for 3-(cyclopropylmethyl)-N-(4-cyclopropylpyrimidin-2-yl)morpholine-4-carboxamide?
The canonical SMILES for 3-(cyclopropylmethyl)-N-(4-cyclopropylpyrimidin-2-yl)morpholine-4-carboxamide is O=C(Nc1nccc(C2CC2)n1)N1CCOCC1CC1CC1.
What is the InChIKey of 3-(cyclopropylmethyl)-N-(4-cyclopropylpyrimidin-2-yl)morpholine-4-carboxamide?
The InChIKey is DQDMHQOAJWLQEC-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H22N4O2/c21-16(19-15-17-6-5-14(18-15)12-3-4-12)20-7-8-22-10-13(20)9-11-1-2-11/h5-6,11-13H,1-4,7-10H2,(H,17,18,19,21).
What are the key properties of 3-(cyclopropylmethyl)-N-(4-cyclopropylpyrimidin-2-yl)morpholine-4-carboxamide?
3-(cyclopropylmethyl)-N-(4-cyclopropylpyrimidin-2-yl)morpholine-4-carboxamide has a molecular weight of 302.38 g/mol, XLogP of 2.39, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(cyclopropylmethyl)-N-(4-cyclopropylpyrimidin-2-yl)morpholine-4-carboxamide is sourced from PubChem (CID 138007003), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).