benzyl N-[2-[(4-methyl-6-pyrrolidin-1-ylpyrimidin-2-yl)methylamino]-2-oxoethyl]carbamate

C20H25N5O3 — CID 122317890

IUPACbenzyl N-[2-[(4-methyl-6-pyrrolidin-1-ylpyrimidin-2-yl)methylamino]-2-oxoethyl]carbamate
SMILESCc1cc(N2CCCC2)nc(CNC(=O)CNC(=O)OCc2ccccc2)n1
InChIInChI=1S/C20H25N5O3/c1-15-11-18(25-9-5-6-10-25)24-17(23-15)12-21-19(26)13-22-20(27)28-14-16-7-3-2-4-8-16/h2-4,7-8,11H,5-6,9-10,12-14H2,1H3,(H,21,26)(H,22,27)
InChIKeyGPHBTYVDDGMDKU-UHFFFAOYSA-N
MW383.45 g/mol
LogP1.93
Rot. Bonds7

About benzyl N-[2-[(4-methyl-6-pyrrolidin-1-ylpyrimidin-2-yl)methylamino]-2-oxoethyl]carbamate

benzyl N-[2-[(4-methyl-6-pyrrolidin-1-ylpyrimidin-2-yl)methylamino]-2-oxoethyl]carbamate (PubChem CID 122317890) has the molecular formula C20H25N5O3 and a molecular weight of 383.45 g/mol. Its IUPAC name is benzyl N-[2-[(4-methyl-6-pyrrolidin-1-ylpyrimidin-2-yl)methylamino]-2-oxoethyl]carbamate.

Molecular Properties

Compound Namebenzyl N-[2-[(4-methyl-6-pyrrolidin-1-ylpyrimidin-2-yl)methylamino]-2-oxoethyl]carbamate
PubChem CID122317890
Molecular FormulaC20H25N5O3
Molecular Weight383.45 g/mol
Exact Mass383.20
IUPAC Namebenzyl N-[2-[(4-methyl-6-pyrrolidin-1-ylpyrimidin-2-yl)methylamino]-2-oxoethyl]carbamate
SMILESCc1cc(N2CCCC2)nc(CNC(=O)CNC(=O)OCc2ccccc2)n1
InChIInChI=1S/C20H25N5O3/c1-15-11-18(25-9-5-6-10-25)24-17(23-15)12-21-19(26)13-22-20(27)28-14-16-7-3-2-4-8-16/h2-4,7-8,11H,5-6,9-10,12-14H2,1H3,(H,21,26)(H,22,27)
InChIKeyGPHBTYVDDGMDKU-UHFFFAOYSA-N
XLogP1.93
TPSA96.45 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500383.45
LogP ≤ 51.93
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

benzyl N-[2-[[4-(dimethylamino)-6-pyrrolidin-1-yl-1,3,5-triazin-2-yl]methylamino]-2-oxoethyl]carbamate
CID 122254330
benzyl N-[2-[4-(6-methyl-2-piperidin-1-ylpyrimidin-4-yl)piperazin-1-yl]-2-oxoethyl]carbamate
CID 122339805
benzyl N-[2-[4-[(6-methyl-2-pyrrolidin-1-ylpyrimidin-4-yl)amino]anilino]-2-oxoethyl]carbamate
CID 122295713
benzyl N-[2-[[4-(dimethylamino)-6-morpholin-4-yl-1,3,5-triazin-2-yl]methylamino]-2-oxoethyl]carbamate
CID 122254862
N-[(4-methyl-6-piperidin-1-ylpyrimidin-2-yl)methyl]naphthalene-2-carboxamide
CID 122318067
benzyl N-[2-[(4,6-dimethyl-2-pyridinyl)amino]-2-oxoethyl]carbamate
CID 10470827
1-(2-methoxyphenyl)-3-[(4-methyl-6-pyrrolidin-1-ylpyrimidin-2-yl)methyl]urea
CID 71807403
2-(1,2-benzoxazol-3-yl)-N-[(4-methyl-6-pyrrolidin-1-ylpyrimidin-2-yl)methyl]acetamide
CID 122317899
1-(2-ethylphenyl)-3-[(4-methyl-6-piperidin-1-ylpyrimidin-2-yl)methyl]urea
CID 122318115
N-[(4-methyl-6-pyrrolidin-1-ylpyrimidin-2-yl)methyl]-2-(4-propan-2-ylsulfonylphenyl)acetamide
CID 122317839
N-[(4-methyl-6-pyrrolidin-1-ylpyrimidin-2-yl)methyl]thiophene-2-carboxamide
CID 71807389
2-methyl-N-[(4-methyl-6-piperidin-1-ylpyrimidin-2-yl)methyl]imidazo[1,2-a]pyridine-3-carboxamide
CID 122318233

Frequently Asked Questions

What is the IUPAC name of benzyl N-[2-[(4-methyl-6-pyrrolidin-1-ylpyrimidin-2-yl)methylamino]-2-oxoethyl]carbamate?
The IUPAC name of benzyl N-[2-[(4-methyl-6-pyrrolidin-1-ylpyrimidin-2-yl)methylamino]-2-oxoethyl]carbamate (CID 122317890) is benzyl N-[2-[(4-methyl-6-pyrrolidin-1-ylpyrimidin-2-yl)methylamino]-2-oxoethyl]carbamate.
What is the SMILES notation for benzyl N-[2-[(4-methyl-6-pyrrolidin-1-ylpyrimidin-2-yl)methylamino]-2-oxoethyl]carbamate?
The canonical SMILES for benzyl N-[2-[(4-methyl-6-pyrrolidin-1-ylpyrimidin-2-yl)methylamino]-2-oxoethyl]carbamate is Cc1cc(N2CCCC2)nc(CNC(=O)CNC(=O)OCc2ccccc2)n1.
What is the InChIKey of benzyl N-[2-[(4-methyl-6-pyrrolidin-1-ylpyrimidin-2-yl)methylamino]-2-oxoethyl]carbamate?
The InChIKey is GPHBTYVDDGMDKU-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H25N5O3/c1-15-11-18(25-9-5-6-10-25)24-17(23-15)12-21-19(26)13-22-20(27)28-14-16-7-3-2-4-8-16/h2-4,7-8,11H,5-6,9-10,12-14H2,1H3,(H,21,26)(H,22,27).
What are the key properties of benzyl N-[2-[(4-methyl-6-pyrrolidin-1-ylpyrimidin-2-yl)methylamino]-2-oxoethyl]carbamate?
benzyl N-[2-[(4-methyl-6-pyrrolidin-1-ylpyrimidin-2-yl)methylamino]-2-oxoethyl]carbamate has a molecular weight of 383.45 g/mol, XLogP of 1.93, 7 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for benzyl N-[2-[(4-methyl-6-pyrrolidin-1-ylpyrimidin-2-yl)methylamino]-2-oxoethyl]carbamate is sourced from PubChem (CID 122317890), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).