methyl N-[3-[4-[(1R)-1-[cyclopropyl-[(2R)-morpholine-2-carbonyl]amino]ethyl]-6-methoxypyrimidin-2-yl]propyl]carbamate

About methyl N-[3-[4-[(1R)-1-[cyclopropyl-[(2R)-morpholine-2-carbonyl]amino]ethyl]-6-methoxypyrimidin-2-yl]propyl]carbamate

methyl N-[3-[4-[(1R)-1-[cyclopropyl-[(2R)-morpholine-2-carbonyl]amino]ethyl]-6-methoxypyrimidin-2-yl]propyl]carbamate (PubChem CID 118313239) has the molecular formula C20H31N5O5 and a molecular weight of 421.50 g/mol. Its IUPAC name is methyl N-[3-[4-[(1R)-1-[cyclopropyl-[(2R)-morpholine-2-carbonyl]amino]ethyl]-6-methoxypyrimidin-2-yl]propyl]carbamate.

Molecular Properties

Compound Name	methyl N-[3-[4-[(1R)-1-[cyclopropyl-[(2R)-morpholine-2-carbonyl]amino]ethyl]-6-methoxypyrimidin-2-yl]propyl]carbamate
PubChem CID	118313239
Molecular Formula	C20H31N5O5
Molecular Weight	421.50 g/mol
Exact Mass	421.23
IUPAC Name	methyl N-[3-[4-[(1R)-1-[cyclopropyl-[(2R)-morpholine-2-carbonyl]amino]ethyl]-6-methoxypyrimidin-2-yl]propyl]carbamate
SMILES	COC(=O)NCCCc1nc(OC)cc([C@@H](C)N(C(=O)[C@H]2CNCCO2)C2CC2)n1
InChI	InChI=1S/C20H31N5O5/c1-13(25(14-6-7-14)19(26)16-12-21-9-10-30-16)15-11-18(28-2)24-17(23-15)5-4-8-22-20(27)29-3/h11,13-14,16,21H,4-10,12H2,1-3H3,(H,22,27)/t13-,16-/m1/s1
InChIKey	NZNSFUDHULYYHA-CZUORRHYSA-N
XLogP	0.81
TPSA	114.91 Å²
H-Bond Donors	2
H-Bond Acceptors	8
Rotatable Bonds	9
Heavy Atoms	30
Complexity	—

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	421.50
LogP ≤ 5	0.81
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	8

Computed Properties (RDKit)

Structural Alerts	{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

Related Compounds

Frequently Asked Questions

What is the IUPAC name of methyl N-[3-[4-[(1R)-1-[cyclopropyl-[(2R)-morpholine-2-carbonyl]amino]ethyl]-6-methoxypyrimidin-2-yl]propyl]carbamate?

The IUPAC name of methyl N-[3-[4-[(1R)-1-[cyclopropyl-[(2R)-morpholine-2-carbonyl]amino]ethyl]-6-methoxypyrimidin-2-yl]propyl]carbamate (CID 118313239) is methyl N-[3-[4-[(1R)-1-[cyclopropyl-[(2R)-morpholine-2-carbonyl]amino]ethyl]-6-methoxypyrimidin-2-yl]propyl]carbamate.

What is the SMILES notation for methyl N-[3-[4-[(1R)-1-[cyclopropyl-[(2R)-morpholine-2-carbonyl]amino]ethyl]-6-methoxypyrimidin-2-yl]propyl]carbamate?

The canonical SMILES for methyl N-[3-[4-[(1R)-1-[cyclopropyl-[(2R)-morpholine-2-carbonyl]amino]ethyl]-6-methoxypyrimidin-2-yl]propyl]carbamate is COC(=O)NCCCc1nc(OC)cc([C@@H](C)N(C(=O)[C@H]2CNCCO2)C2CC2)n1.

What is the InChIKey of methyl N-[3-[4-[(1R)-1-[cyclopropyl-[(2R)-morpholine-2-carbonyl]amino]ethyl]-6-methoxypyrimidin-2-yl]propyl]carbamate?

The InChIKey is NZNSFUDHULYYHA-CZUORRHYSA-N. The full InChI is InChI=1S/C20H31N5O5/c1-13(25(14-6-7-14)19(26)16-12-21-9-10-30-16)15-11-18(28-2)24-17(23-15)5-4-8-22-20(27)29-3/h11,13-14,16,21H,4-10,12H2,1-3H3,(H,22,27)/t13-,16-/m1/s1.

What are the key properties of methyl N-[3-[4-[(1R)-1-[cyclopropyl-[(2R)-morpholine-2-carbonyl]amino]ethyl]-6-methoxypyrimidin-2-yl]propyl]carbamate?

methyl N-[3-[4-[(1R)-1-[cyclopropyl-[(2R)-morpholine-2-carbonyl]amino]ethyl]-6-methoxypyrimidin-2-yl]propyl]carbamate has a molecular weight of 421.50 g/mol, XLogP of 0.81, 9 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.

Where does this data come from?

All data for methyl N-[3-[4-[(1R)-1-[cyclopropyl-[(2R)-morpholine-2-carbonyl]amino]ethyl]-6-methoxypyrimidin-2-yl]propyl]carbamate is sourced from PubChem (CID 118313239), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).