(2R)-N-[(1R)-1-[2-(3-aminopropyl)-4-methoxy-1,2-dihydropyrimidin-6-yl]ethyl]-N-cyclopropylmorpholine-2-carboxamide

C18H31N5O3 — CID 90065133

IUPAC(2R)-N-[(1R)-1-[2-(3-aminopropyl)-4-methoxy-1,2-dihydropyrimidin-6-yl]ethyl]-N-cyclopropylmorpholine-2-carboxamide
SMILESCOC1=NC(CCCN)NC([C@@H](C)N(C(=O)[C@H]2CNCCO2)C2CC2)=C1
InChIInChI=1S/C18H31N5O3/c1-12(14-10-17(25-2)22-16(21-14)4-3-7-19)23(13-5-6-13)18(24)15-11-20-8-9-26-15/h10,12-13,15-16,20-21H,3-9,11,19H2,1-2H3/t12-,15-,16?/m1/s1
InChIKeyLFPVIJRIJXRKHO-CEPMMTIFSA-N
MW365.48 g/mol
LogP-0.05
Rot. Bonds7

About (2R)-N-[(1R)-1-[2-(3-aminopropyl)-4-methoxy-1,2-dihydropyrimidin-6-yl]ethyl]-N-cyclopropylmorpholine-2-carboxamide

(2R)-N-[(1R)-1-[2-(3-aminopropyl)-4-methoxy-1,2-dihydropyrimidin-6-yl]ethyl]-N-cyclopropylmorpholine-2-carboxamide (PubChem CID 90065133) has the molecular formula C18H31N5O3 and a molecular weight of 365.48 g/mol. Its IUPAC name is (2R)-N-[(1R)-1-[2-(3-aminopropyl)-4-methoxy-1,2-dihydropyrimidin-6-yl]ethyl]-N-cyclopropylmorpholine-2-carboxamide.

Molecular Properties

Compound Name(2R)-N-[(1R)-1-[2-(3-aminopropyl)-4-methoxy-1,2-dihydropyrimidin-6-yl]ethyl]-N-cyclopropylmorpholine-2-carboxamide
PubChem CID90065133
Molecular FormulaC18H31N5O3
Molecular Weight365.48 g/mol
Exact Mass365.24
IUPAC Name(2R)-N-[(1R)-1-[2-(3-aminopropyl)-4-methoxy-1,2-dihydropyrimidin-6-yl]ethyl]-N-cyclopropylmorpholine-2-carboxamide
SMILESCOC1=NC(CCCN)NC([C@@H](C)N(C(=O)[C@H]2CNCCO2)C2CC2)=C1
InChIInChI=1S/C18H31N5O3/c1-12(14-10-17(25-2)22-16(21-14)4-3-7-19)23(13-5-6-13)18(24)15-11-20-8-9-26-15/h10,12-13,15-16,20-21H,3-9,11,19H2,1-2H3/t12-,15-,16?/m1/s1
InChIKeyLFPVIJRIJXRKHO-CEPMMTIFSA-N
XLogP-0.05
TPSA101.21 Ų
H-Bond Donors3
H-Bond Acceptors7
Rotatable Bonds7
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500365.48
LogP ≤ 5-0.05
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 107

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Related Compounds

(2R)-N-cyclopropyl-N-[(1R)-1-[6-methoxy-2-(4-methoxybutyl)-1,2-dihydropyridin-4-yl]ethyl]morpholine-2-carboxamide
CID 90065236
(2R)-N-[(1R)-1-[4-(3-acetamidopropyl)-6-methoxy-1,8a-dihydroquinolin-2-yl]ethyl]-N-cyclopropylmorpholine-2-carboxamide
CID 163986887
(2R)-N-cyclopropyl-N-[(1R)-1-[3-(3-methoxypropoxy)-4-methylphenyl]ethyl]morpholine-2-carboxamide
CID 66551637
(2R)-N-cyclopropyl-N-[(1R)-1-[3-(4-methoxybutyl)-5-methylphenyl]ethyl]morpholine-2-carboxamide
CID 90065098
2-[3-(3-aminopropyl)-5-[(1R)-1-[cyclopropyl-[(2R)-morpholine-2-carbonyl]amino]ethyl]thiophen-2-yl]benzoic acid
CID 90065146
methyl N-[3-[4-[(1R)-1-[cyclopropyl-[(2R)-morpholine-2-carbonyl]amino]ethyl]-6-methoxypyrimidin-2-yl]propyl]carbamate
CID 118313239
(2R)-N-cyclopropyl-N-[(1R)-1-[4-ethyl-3-(3-methoxypropoxy)phenyl]ethyl]morpholine-2-carboxamide
CID 118313065
(2R)-N-cyclopropyl-N-[(1R)-1-[6-methoxy-4-[3-(methoxyamino)propyl]quinolin-2-yl]ethyl]morpholine-2-carboxamide
CID 90065007
N-cyclopropyl-N-[(1R)-1-[1-(3-methoxypropyl)-3-methylindazol-6-yl]ethyl]morpholine-2-carboxamide
CID 140718628
(2R)-N-cyclopropyl-N-[(1R)-1-[1-(3-methoxypropyl)-3-methylpyrrolo[2,3-b]pyridin-6-yl]ethyl]morpholine-2-carboxamide
CID 118313069
(2R)-N-cyclopropyl-N-[(1R)-1-[6-ethyl-5-(4-methoxybutyl)-3-pyridinyl]ethyl]morpholine-2-carboxamide
CID 118313115
methyl N-[2-[3-[(1R)-1-[cyclopropyl-[(2R)-morpholine-2-carbonyl]amino]ethyl]-5-methoxyphenoxy]ethyl]carbamate
CID 118313716

Frequently Asked Questions

What is the IUPAC name of (2R)-N-[(1R)-1-[2-(3-aminopropyl)-4-methoxy-1,2-dihydropyrimidin-6-yl]ethyl]-N-cyclopropylmorpholine-2-carboxamide?
The IUPAC name of (2R)-N-[(1R)-1-[2-(3-aminopropyl)-4-methoxy-1,2-dihydropyrimidin-6-yl]ethyl]-N-cyclopropylmorpholine-2-carboxamide (CID 90065133) is (2R)-N-[(1R)-1-[2-(3-aminopropyl)-4-methoxy-1,2-dihydropyrimidin-6-yl]ethyl]-N-cyclopropylmorpholine-2-carboxamide.
What is the SMILES notation for (2R)-N-[(1R)-1-[2-(3-aminopropyl)-4-methoxy-1,2-dihydropyrimidin-6-yl]ethyl]-N-cyclopropylmorpholine-2-carboxamide?
The canonical SMILES for (2R)-N-[(1R)-1-[2-(3-aminopropyl)-4-methoxy-1,2-dihydropyrimidin-6-yl]ethyl]-N-cyclopropylmorpholine-2-carboxamide is COC1=NC(CCCN)NC([C@@H](C)N(C(=O)[C@H]2CNCCO2)C2CC2)=C1.
What is the InChIKey of (2R)-N-[(1R)-1-[2-(3-aminopropyl)-4-methoxy-1,2-dihydropyrimidin-6-yl]ethyl]-N-cyclopropylmorpholine-2-carboxamide?
The InChIKey is LFPVIJRIJXRKHO-CEPMMTIFSA-N. The full InChI is InChI=1S/C18H31N5O3/c1-12(14-10-17(25-2)22-16(21-14)4-3-7-19)23(13-5-6-13)18(24)15-11-20-8-9-26-15/h10,12-13,15-16,20-21H,3-9,11,19H2,1-2H3/t12-,15-,16?/m1/s1.
What are the key properties of (2R)-N-[(1R)-1-[2-(3-aminopropyl)-4-methoxy-1,2-dihydropyrimidin-6-yl]ethyl]-N-cyclopropylmorpholine-2-carboxamide?
(2R)-N-[(1R)-1-[2-(3-aminopropyl)-4-methoxy-1,2-dihydropyrimidin-6-yl]ethyl]-N-cyclopropylmorpholine-2-carboxamide has a molecular weight of 365.48 g/mol, XLogP of -0.05, 7 rotatable bonds, 3 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-N-[(1R)-1-[2-(3-aminopropyl)-4-methoxy-1,2-dihydropyrimidin-6-yl]ethyl]-N-cyclopropylmorpholine-2-carboxamide is sourced from PubChem (CID 90065133), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).