(2S,6S)-2-cyclopropyl-N-[2-(2-cyclopropylpyrimidin-5-yl)ethyl]-6-methylmorpholine-4-carboxamide

C18H26N4O2 — CID 124740629

IUPAC(2S,6S)-2-cyclopropyl-N-[2-(2-cyclopropylpyrimidin-5-yl)ethyl]-6-methylmorpholine-4-carboxamide
SMILESC[C@H]1CN(C(=O)NCCc2cnc(C3CC3)nc2)C[C@H](C2CC2)O1
InChIInChI=1S/C18H26N4O2/c1-12-10-22(11-16(24-12)14-2-3-14)18(23)19-7-6-13-8-20-17(21-9-13)15-4-5-15/h8-9,12,14-16H,2-7,10-11H2,1H3,(H,19,23)/t12-,16+/m0/s1
InChIKeyUVCNMZXOVZXIGN-BLLLJJGKSA-N
MW330.43 g/mol
LogP2.11
Rot. Bonds5

About (2S,6S)-2-cyclopropyl-N-[2-(2-cyclopropylpyrimidin-5-yl)ethyl]-6-methylmorpholine-4-carboxamide

(2S,6S)-2-cyclopropyl-N-[2-(2-cyclopropylpyrimidin-5-yl)ethyl]-6-methylmorpholine-4-carboxamide (PubChem CID 124740629) has the molecular formula C18H26N4O2 and a molecular weight of 330.43 g/mol. Its IUPAC name is (2S,6S)-2-cyclopropyl-N-[2-(2-cyclopropylpyrimidin-5-yl)ethyl]-6-methylmorpholine-4-carboxamide.

Molecular Properties

Compound Name(2S,6S)-2-cyclopropyl-N-[2-(2-cyclopropylpyrimidin-5-yl)ethyl]-6-methylmorpholine-4-carboxamide
PubChem CID124740629
Molecular FormulaC18H26N4O2
Molecular Weight330.43 g/mol
Exact Mass330.21
IUPAC Name(2S,6S)-2-cyclopropyl-N-[2-(2-cyclopropylpyrimidin-5-yl)ethyl]-6-methylmorpholine-4-carboxamide
SMILESC[C@H]1CN(C(=O)NCCc2cnc(C3CC3)nc2)C[C@H](C2CC2)O1
InChIInChI=1S/C18H26N4O2/c1-12-10-22(11-16(24-12)14-2-3-14)18(23)19-7-6-13-8-20-17(21-9-13)15-4-5-15/h8-9,12,14-16H,2-7,10-11H2,1H3,(H,19,23)/t12-,16+/m0/s1
InChIKeyUVCNMZXOVZXIGN-BLLLJJGKSA-N
XLogP2.11
TPSA67.35 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500330.43
LogP ≤ 52.11
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

(2R,6R)-N-[2-(2-cyclopropylpyrimidin-5-yl)ethyl]-2-methyl-6-(3-methyl-1,2,4-oxadiazol-5-yl)morpholine-4-carboxamide
CID 126825314
(4aS,8aR)-N-[2-(2-cyclopropylpyrimidin-5-yl)ethyl]-4a-hydroxy-1,3,4,5,6,7,8,8a-octahydroisoquinoline-2-carboxamide
CID 124879669
1-[(2S,4S)-2-cyclopropyloxan-4-yl]-3-[2-(2-cyclopropylpyrimidin-5-yl)ethyl]urea
CID 124888151
N-[2-(2-cyclopropylpyrimidin-5-yl)ethyl]-5,8-difluoro-3,4-dihydro-1H-isoquinoline-2-carboxamide
CID 127665029
(2R,6R)-N-[2-[4-(dimethylamino)phenyl]ethyl]-2,6-dimethylmorpholine-4-carboxamide
CID 95280981
N-[2-(2-cyclopropylpyrimidin-5-yl)ethyl]-5-phenyl-3,6-dihydro-2H-pyridine-1-carboxamide
CID 100641585
N-[2-(3-methoxyphenyl)ethyl]-2,6-dimethylmorpholine-4-carboxamide
CID 108900892
2-cyclopropyl-N-[2-(2-methoxyphenoxy)propyl]-6-methylmorpholine-4-carboxamide
CID 136538659
(3S)-N-[2-(2-cyclopropylpyrimidin-5-yl)ethyl]oxane-3-carboxamide
CID 164629625
(3aR,4R,7S,7aS)-N-(2-pyridin-4-ylethyl)-1,3,3a,4,5,6,7,7a-octahydro-4,7-epoxyisoindole-2-carboxamide
CID 155955584
2-methyl-N-[2-(1-methylpyrazol-4-yl)ethyl]-6-thiophen-3-ylmorpholine-4-carboxamide
CID 71851940
(2S,6S)-N-(2-cyclopropylpyrimidin-5-yl)-2-methyl-6-thiophen-3-ylmorpholine-4-carboxamide
CID 97225798

Frequently Asked Questions

What is the IUPAC name of (2S,6S)-2-cyclopropyl-N-[2-(2-cyclopropylpyrimidin-5-yl)ethyl]-6-methylmorpholine-4-carboxamide?
The IUPAC name of (2S,6S)-2-cyclopropyl-N-[2-(2-cyclopropylpyrimidin-5-yl)ethyl]-6-methylmorpholine-4-carboxamide (CID 124740629) is (2S,6S)-2-cyclopropyl-N-[2-(2-cyclopropylpyrimidin-5-yl)ethyl]-6-methylmorpholine-4-carboxamide.
What is the SMILES notation for (2S,6S)-2-cyclopropyl-N-[2-(2-cyclopropylpyrimidin-5-yl)ethyl]-6-methylmorpholine-4-carboxamide?
The canonical SMILES for (2S,6S)-2-cyclopropyl-N-[2-(2-cyclopropylpyrimidin-5-yl)ethyl]-6-methylmorpholine-4-carboxamide is C[C@H]1CN(C(=O)NCCc2cnc(C3CC3)nc2)C[C@H](C2CC2)O1.
What is the InChIKey of (2S,6S)-2-cyclopropyl-N-[2-(2-cyclopropylpyrimidin-5-yl)ethyl]-6-methylmorpholine-4-carboxamide?
The InChIKey is UVCNMZXOVZXIGN-BLLLJJGKSA-N. The full InChI is InChI=1S/C18H26N4O2/c1-12-10-22(11-16(24-12)14-2-3-14)18(23)19-7-6-13-8-20-17(21-9-13)15-4-5-15/h8-9,12,14-16H,2-7,10-11H2,1H3,(H,19,23)/t12-,16+/m0/s1.
What are the key properties of (2S,6S)-2-cyclopropyl-N-[2-(2-cyclopropylpyrimidin-5-yl)ethyl]-6-methylmorpholine-4-carboxamide?
(2S,6S)-2-cyclopropyl-N-[2-(2-cyclopropylpyrimidin-5-yl)ethyl]-6-methylmorpholine-4-carboxamide has a molecular weight of 330.43 g/mol, XLogP of 2.11, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2S,6S)-2-cyclopropyl-N-[2-(2-cyclopropylpyrimidin-5-yl)ethyl]-6-methylmorpholine-4-carboxamide is sourced from PubChem (CID 124740629), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).