3-(2-ethylimidazol-1-yl)-N-[[2-[(2S)-2-methyloxan-2-yl]pyrimidin-5-yl]methyl]propanamide

C19H27N5O2 — CID 124952350

IUPAC3-(2-ethylimidazol-1-yl)-N-[[2-[(2S)-2-methyloxan-2-yl]pyrimidin-5-yl]methyl]propanamide
SMILESCCc1nccn1CCC(=O)NCc1cnc([C@]2(C)CCCCO2)nc1
InChIInChI=1S/C19H27N5O2/c1-3-16-20-8-10-24(16)9-6-17(25)21-12-15-13-22-18(23-14-15)19(2)7-4-5-11-26-19/h8,10,13-14H,3-7,9,11-12H2,1-2H3,(H,21,25)/t19-/m0/s1
InChIKeyDNRRFXZIZJDTLP-IBGZPJMESA-N
MW357.46 g/mol
LogP2.36
Rot. Bonds7

About 3-(2-ethylimidazol-1-yl)-N-[[2-[(2S)-2-methyloxan-2-yl]pyrimidin-5-yl]methyl]propanamide

3-(2-ethylimidazol-1-yl)-N-[[2-[(2S)-2-methyloxan-2-yl]pyrimidin-5-yl]methyl]propanamide (PubChem CID 124952350) has the molecular formula C19H27N5O2 and a molecular weight of 357.46 g/mol. Its IUPAC name is 3-(2-ethylimidazol-1-yl)-N-[[2-[(2S)-2-methyloxan-2-yl]pyrimidin-5-yl]methyl]propanamide.

Molecular Properties

Compound Name3-(2-ethylimidazol-1-yl)-N-[[2-[(2S)-2-methyloxan-2-yl]pyrimidin-5-yl]methyl]propanamide
PubChem CID124952350
Molecular FormulaC19H27N5O2
Molecular Weight357.46 g/mol
Exact Mass357.22
IUPAC Name3-(2-ethylimidazol-1-yl)-N-[[2-[(2S)-2-methyloxan-2-yl]pyrimidin-5-yl]methyl]propanamide
SMILESCCc1nccn1CCC(=O)NCc1cnc([C@]2(C)CCCCO2)nc1
InChIInChI=1S/C19H27N5O2/c1-3-16-20-8-10-24(16)9-6-17(25)21-12-15-13-22-18(23-14-15)19(2)7-4-5-11-26-19/h8,10,13-14H,3-7,9,11-12H2,1-2H3,(H,21,25)/t19-/m0/s1
InChIKeyDNRRFXZIZJDTLP-IBGZPJMESA-N
XLogP2.36
TPSA81.93 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500357.46
LogP ≤ 52.36
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

N-[[2-(2-methyloxan-2-yl)pyrimidin-5-yl]methyl]-3-phenoxypropanamide
CID 110117891
1-methyl-N-[[2-(2-methyloxan-2-yl)pyrimidin-5-yl]methyl]pyrazole-4-carboxamide
CID 110117876
N-[[2-[(2S)-2-methyloxan-2-yl]pyrimidin-5-yl]methyl]-2-thiophen-3-ylacetamide
CID 124951491
N-[[2-[(2S)-2-methyloxan-2-yl]pyrimidin-5-yl]methyl]methanesulfonamide
CID 124988461
N-(1,3-benzodioxol-5-ylmethyl)-3-(2-ethylimidazol-1-yl)propanamide
CID 131937873
4-methyl-N-[[2-(2-methyloxan-2-yl)pyrimidin-5-yl]methyl]-1,3-thiazole-5-carboxamide
CID 110117829
3-(2-ethylimidazol-1-yl)-N-[(3-methyl-1,2-oxazol-5-yl)methyl]propanamide
CID 131900320
3-(2-ethylimidazol-1-yl)-N-(4,5,6,7-tetrahydro-1-benzothiophen-3-ylmethyl)propanamide
CID 131926060
3-(2-ethylimidazol-1-yl)-N-[(4-ethyl-1,3-thiazol-2-yl)methyl]propanamide
CID 131913488
3-(2-ethylimidazol-1-yl)-N-(quinolin-2-ylmethyl)propanamide
CID 131889023
N-[[2-(2-methyloxan-2-yl)pyrimidin-5-yl]methyl]-5-propan-2-ylthiophene-3-carboxamide
CID 110117887
N-[(5-amino-1,3,4-thiadiazol-2-yl)methyl]-3-(2-ethylimidazol-1-yl)propanamide
CID 122557693

Frequently Asked Questions

What is the IUPAC name of 3-(2-ethylimidazol-1-yl)-N-[[2-[(2S)-2-methyloxan-2-yl]pyrimidin-5-yl]methyl]propanamide?
The IUPAC name of 3-(2-ethylimidazol-1-yl)-N-[[2-[(2S)-2-methyloxan-2-yl]pyrimidin-5-yl]methyl]propanamide (CID 124952350) is 3-(2-ethylimidazol-1-yl)-N-[[2-[(2S)-2-methyloxan-2-yl]pyrimidin-5-yl]methyl]propanamide.
What is the SMILES notation for 3-(2-ethylimidazol-1-yl)-N-[[2-[(2S)-2-methyloxan-2-yl]pyrimidin-5-yl]methyl]propanamide?
The canonical SMILES for 3-(2-ethylimidazol-1-yl)-N-[[2-[(2S)-2-methyloxan-2-yl]pyrimidin-5-yl]methyl]propanamide is CCc1nccn1CCC(=O)NCc1cnc([C@]2(C)CCCCO2)nc1.
What is the InChIKey of 3-(2-ethylimidazol-1-yl)-N-[[2-[(2S)-2-methyloxan-2-yl]pyrimidin-5-yl]methyl]propanamide?
The InChIKey is DNRRFXZIZJDTLP-IBGZPJMESA-N. The full InChI is InChI=1S/C19H27N5O2/c1-3-16-20-8-10-24(16)9-6-17(25)21-12-15-13-22-18(23-14-15)19(2)7-4-5-11-26-19/h8,10,13-14H,3-7,9,11-12H2,1-2H3,(H,21,25)/t19-/m0/s1.
What are the key properties of 3-(2-ethylimidazol-1-yl)-N-[[2-[(2S)-2-methyloxan-2-yl]pyrimidin-5-yl]methyl]propanamide?
3-(2-ethylimidazol-1-yl)-N-[[2-[(2S)-2-methyloxan-2-yl]pyrimidin-5-yl]methyl]propanamide has a molecular weight of 357.46 g/mol, XLogP of 2.36, 7 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2-ethylimidazol-1-yl)-N-[[2-[(2S)-2-methyloxan-2-yl]pyrimidin-5-yl]methyl]propanamide is sourced from PubChem (CID 124952350), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).