ethyl N-(4,6-dimethylpyrimidin-2-yl)-N-[2-[di(propan-2-yl)amino]ethyl]carbamate

C17H30N4O2 — CID 54239643

IUPACethyl N-(4,6-dimethylpyrimidin-2-yl)-N-[2-[di(propan-2-yl)amino]ethyl]carbamate
SMILESCCOC(=O)N(CCN(C(C)C)C(C)C)c1nc(C)cc(C)n1
InChIInChI=1S/C17H30N4O2/c1-8-23-17(22)21(10-9-20(12(2)3)13(4)5)16-18-14(6)11-15(7)19-16/h11-13H,8-10H2,1-7H3
InChIKeyQPBPRDZDRYGGBZ-UHFFFAOYSA-N
MW322.45 g/mol
LogP3.18
Rot. Bonds7

About ethyl N-(4,6-dimethylpyrimidin-2-yl)-N-[2-[di(propan-2-yl)amino]ethyl]carbamate

ethyl N-(4,6-dimethylpyrimidin-2-yl)-N-[2-[di(propan-2-yl)amino]ethyl]carbamate (PubChem CID 54239643) has the molecular formula C17H30N4O2 and a molecular weight of 322.45 g/mol. Its IUPAC name is ethyl N-(4,6-dimethylpyrimidin-2-yl)-N-[2-[di(propan-2-yl)amino]ethyl]carbamate.

Molecular Properties

Compound Nameethyl N-(4,6-dimethylpyrimidin-2-yl)-N-[2-[di(propan-2-yl)amino]ethyl]carbamate
PubChem CID54239643
Molecular FormulaC17H30N4O2
Molecular Weight322.45 g/mol
Exact Mass322.24
IUPAC Nameethyl N-(4,6-dimethylpyrimidin-2-yl)-N-[2-[di(propan-2-yl)amino]ethyl]carbamate
SMILESCCOC(=O)N(CCN(C(C)C)C(C)C)c1nc(C)cc(C)n1
InChIInChI=1S/C17H30N4O2/c1-8-23-17(22)21(10-9-20(12(2)3)13(4)5)16-18-14(6)11-15(7)19-16/h11-13H,8-10H2,1-7H3
InChIKeyQPBPRDZDRYGGBZ-UHFFFAOYSA-N
XLogP3.18
TPSA58.56 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500322.45
LogP ≤ 53.18
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

N-cyclohexyl-2-[(4,6-dimethyl-2-pyrimidinyl)amino]-4,5-dihydro-1H-imidazole-1-carboxamide
CID 938501
2-[cyano-(4,6-dimethylpyrimidin-2-yl)amino]-N,N-dimethylpropanamide
CID 2909654
Ethyl 4-[4-methyl-6-(trifluoromethyl)pyrimidin-2-yl]piperazine-1-carboxylate
CID 2987674
2-[Cyano-(4,6-dimethyl-pyrimidin-2-yl)-amino]-N,N-diethyl-propionamide
CID 3130268
2-[Cyano-(4,6-dimethyl-pyrimidin-2-yl)-amino]-N,N-diethyl-acetamide
CID 1903179
Tert-butyl (1-(4,6-dimethylpyrimidin-2-yl)piperidin-4-yl)carbamate
CID 45106477
Ethyl 4-[4-(6-isopropyl-2-methylpyrimidin-4-YL)piperazin-1-YL]piperidine-1-carboxylate
CID 50982922
Ethyl 4-[1-(6-ethyl-2-methylpyrimidin-4-YL)piperidin-4-YL]piperazine-1-carboxylate
CID 72855456
ethyl 4-[(3S)-1-(4,6-dimethylpyrimidin-2-yl)piperidine-3-carbonyl]piperazine-1-carboxylate
CID 96557957
tert-butyl N-[(3S)-1-(4,6-dimethylpyrimidin-2-yl)pyrrolidin-3-yl]-N-methylcarbamate
CID 97592835
Tert-butyl 2-[[(4,6-dimethylpyrimidin-2-yl)amino]methyl]-4,4-difluoropiperidine-1-carboxylate
CID 89782900
Tert-butyl 4-[4,6-bis(trifluoromethyl)pyrimidin-2-yl]piperazine-1-carboxylate
CID 169596949

Frequently Asked Questions

What is the IUPAC name of ethyl N-(4,6-dimethylpyrimidin-2-yl)-N-[2-[di(propan-2-yl)amino]ethyl]carbamate?
The IUPAC name of ethyl N-(4,6-dimethylpyrimidin-2-yl)-N-[2-[di(propan-2-yl)amino]ethyl]carbamate (CID 54239643) is ethyl N-(4,6-dimethylpyrimidin-2-yl)-N-[2-[di(propan-2-yl)amino]ethyl]carbamate.
What is the SMILES notation for ethyl N-(4,6-dimethylpyrimidin-2-yl)-N-[2-[di(propan-2-yl)amino]ethyl]carbamate?
The canonical SMILES for ethyl N-(4,6-dimethylpyrimidin-2-yl)-N-[2-[di(propan-2-yl)amino]ethyl]carbamate is CCOC(=O)N(CCN(C(C)C)C(C)C)c1nc(C)cc(C)n1.
What is the InChIKey of ethyl N-(4,6-dimethylpyrimidin-2-yl)-N-[2-[di(propan-2-yl)amino]ethyl]carbamate?
The InChIKey is QPBPRDZDRYGGBZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H30N4O2/c1-8-23-17(22)21(10-9-20(12(2)3)13(4)5)16-18-14(6)11-15(7)19-16/h11-13H,8-10H2,1-7H3.
What are the key properties of ethyl N-(4,6-dimethylpyrimidin-2-yl)-N-[2-[di(propan-2-yl)amino]ethyl]carbamate?
ethyl N-(4,6-dimethylpyrimidin-2-yl)-N-[2-[di(propan-2-yl)amino]ethyl]carbamate has a molecular weight of 322.45 g/mol, XLogP of 3.18, 7 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl N-(4,6-dimethylpyrimidin-2-yl)-N-[2-[di(propan-2-yl)amino]ethyl]carbamate is sourced from PubChem (CID 54239643), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).