2-(ethylamino)-N-[2-(2-oxo-1,3-oxazolidin-3-yl)ethyl]pyrimidine-5-carboxamide

C12H17N5O3 — CID 72928477

IUPAC2-(ethylamino)-N-[2-(2-oxo-1,3-oxazolidin-3-yl)ethyl]pyrimidine-5-carboxamide
SMILESCCNc1ncc(C(=O)NCCN2CCOC2=O)cn1
InChIInChI=1S/C12H17N5O3/c1-2-13-11-15-7-9(8-16-11)10(18)14-3-4-17-5-6-20-12(17)19/h7-8H,2-6H2,1H3,(H,14,18)(H,13,15,16)
InChIKeyCTOKCXFPHOYPTQ-UHFFFAOYSA-N
MW279.30 g/mol
LogP0.09
Rot. Bonds6

About 2-(ethylamino)-N-[2-(2-oxo-1,3-oxazolidin-3-yl)ethyl]pyrimidine-5-carboxamide

2-(ethylamino)-N-[2-(2-oxo-1,3-oxazolidin-3-yl)ethyl]pyrimidine-5-carboxamide (PubChem CID 72928477) has the molecular formula C12H17N5O3 and a molecular weight of 279.30 g/mol. Its IUPAC name is 2-(ethylamino)-N-[2-(2-oxo-1,3-oxazolidin-3-yl)ethyl]pyrimidine-5-carboxamide.

Molecular Properties

Compound Name2-(ethylamino)-N-[2-(2-oxo-1,3-oxazolidin-3-yl)ethyl]pyrimidine-5-carboxamide
PubChem CID72928477
Molecular FormulaC12H17N5O3
Molecular Weight279.30 g/mol
Exact Mass279.13
IUPAC Name2-(ethylamino)-N-[2-(2-oxo-1,3-oxazolidin-3-yl)ethyl]pyrimidine-5-carboxamide
SMILESCCNc1ncc(C(=O)NCCN2CCOC2=O)cn1
InChIInChI=1S/C12H17N5O3/c1-2-13-11-15-7-9(8-16-11)10(18)14-3-4-17-5-6-20-12(17)19/h7-8H,2-6H2,1H3,(H,14,18)(H,13,15,16)
InChIKeyCTOKCXFPHOYPTQ-UHFFFAOYSA-N
XLogP0.09
TPSA96.45 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500279.30
LogP ≤ 50.09
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

4-amino-2-[(3S)-3-(prop-2-enoylamino)pyrrolidin-1-yl]pyrimidine-5-carboxamide
CID 118038061
4-amino-2-[(3R)-3-(prop-2-enoylamino)pyrrolidin-1-yl]pyrimidine-5-carboxamide
CID 118038785
2,4-bis(butylamino)-N-(3-morpholin-4-ylpropyl)pyrimidine-5-carboxamide
CID 72548581
5-Pyrimidinecarboxamide, 2-amino-N-((1-ethyl-2-pyrrolidinyl)methyl)-
CID 3042986
N-Propyl-2-(pyrrolidin-1-YL)pyrimidine-5-carboxamide
CID 6625249
(2-Methoxypyrimidin-5-yl)(pyrrolidin-1-yl)methanone
CID 49664406
N,2-diethyl-N-(2-methoxyethyl)-5-pyrimidinecarboxamide
CID 72871529
2-ethyl-N-[2-(2-oxo-1-imidazolidinyl)ethyl]-5-pyrimidinecarboxamide
CID 72876341
3-(2-{[4-(Dimethylamino)-5-fluoropyrimidin-2-YL]amino}ethyl)-1,3-oxazolidin-2-one
CID 72906073
6-[2-(ethylamino)pyrimidine-5-carbonyl]-2-methyl-5,7-dihydro-3H-pyrrolo[3,4-d]pyrimidin-4-one
CID 136264143
N-ethyl-5-{[4-(4-methoxybutyl)-1-piperazinyl]carbonyl}-2-pyrimidinamine
CID 72846032
4-amino-2-[(3S)-3-(propanoylamino)pyrrolidin-1-yl]pyrimidine-5-carboxamide
CID 137349434

Frequently Asked Questions

What is the IUPAC name of 2-(ethylamino)-N-[2-(2-oxo-1,3-oxazolidin-3-yl)ethyl]pyrimidine-5-carboxamide?
The IUPAC name of 2-(ethylamino)-N-[2-(2-oxo-1,3-oxazolidin-3-yl)ethyl]pyrimidine-5-carboxamide (CID 72928477) is 2-(ethylamino)-N-[2-(2-oxo-1,3-oxazolidin-3-yl)ethyl]pyrimidine-5-carboxamide.
What is the SMILES notation for 2-(ethylamino)-N-[2-(2-oxo-1,3-oxazolidin-3-yl)ethyl]pyrimidine-5-carboxamide?
The canonical SMILES for 2-(ethylamino)-N-[2-(2-oxo-1,3-oxazolidin-3-yl)ethyl]pyrimidine-5-carboxamide is CCNc1ncc(C(=O)NCCN2CCOC2=O)cn1.
What is the InChIKey of 2-(ethylamino)-N-[2-(2-oxo-1,3-oxazolidin-3-yl)ethyl]pyrimidine-5-carboxamide?
The InChIKey is CTOKCXFPHOYPTQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H17N5O3/c1-2-13-11-15-7-9(8-16-11)10(18)14-3-4-17-5-6-20-12(17)19/h7-8H,2-6H2,1H3,(H,14,18)(H,13,15,16).
What are the key properties of 2-(ethylamino)-N-[2-(2-oxo-1,3-oxazolidin-3-yl)ethyl]pyrimidine-5-carboxamide?
2-(ethylamino)-N-[2-(2-oxo-1,3-oxazolidin-3-yl)ethyl]pyrimidine-5-carboxamide has a molecular weight of 279.30 g/mol, XLogP of 0.09, 6 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(ethylamino)-N-[2-(2-oxo-1,3-oxazolidin-3-yl)ethyl]pyrimidine-5-carboxamide is sourced from PubChem (CID 72928477), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).