N-[2-[6-[(5-cyclobutyl-1,3-thiazol-2-yl)amino]-2-ethylpyrimidin-4-yl]oxyethyl]-2-(methylamino)propanamide

C19H28N6O2S — CID 165152623

IUPACN-[2-[6-[(5-cyclobutyl-1,3-thiazol-2-yl)amino]-2-ethylpyrimidin-4-yl]oxyethyl]-2-(methylamino)propanamide
SMILESCCc1nc(Nc2ncc(C3CCC3)s2)cc(OCCNC(=O)C(C)NC)n1
InChIInChI=1S/C19H28N6O2S/c1-4-15-23-16(25-19-22-11-14(28-19)13-6-5-7-13)10-17(24-15)27-9-8-21-18(26)12(2)20-3/h10-13,20H,4-9H2,1-3H3,(H,21,26)(H,22,23,24,25)
InChIKeyWCGIBZMLLQRFCZ-UHFFFAOYSA-N
MW404.54 g/mol
LogP2.61
Rot. Bonds10

About N-[2-[6-[(5-cyclobutyl-1,3-thiazol-2-yl)amino]-2-ethylpyrimidin-4-yl]oxyethyl]-2-(methylamino)propanamide

N-[2-[6-[(5-cyclobutyl-1,3-thiazol-2-yl)amino]-2-ethylpyrimidin-4-yl]oxyethyl]-2-(methylamino)propanamide (PubChem CID 165152623) has the molecular formula C19H28N6O2S and a molecular weight of 404.54 g/mol. Its IUPAC name is N-[2-[6-[(5-cyclobutyl-1,3-thiazol-2-yl)amino]-2-ethylpyrimidin-4-yl]oxyethyl]-2-(methylamino)propanamide.

Molecular Properties

Compound NameN-[2-[6-[(5-cyclobutyl-1,3-thiazol-2-yl)amino]-2-ethylpyrimidin-4-yl]oxyethyl]-2-(methylamino)propanamide
PubChem CID165152623
Molecular FormulaC19H28N6O2S
Molecular Weight404.54 g/mol
Exact Mass404.20
IUPAC NameN-[2-[6-[(5-cyclobutyl-1,3-thiazol-2-yl)amino]-2-ethylpyrimidin-4-yl]oxyethyl]-2-(methylamino)propanamide
SMILESCCc1nc(Nc2ncc(C3CCC3)s2)cc(OCCNC(=O)C(C)NC)n1
InChIInChI=1S/C19H28N6O2S/c1-4-15-23-16(25-19-22-11-14(28-19)13-6-5-7-13)10-17(24-15)27-9-8-21-18(26)12(2)20-3/h10-13,20H,4-9H2,1-3H3,(H,21,26)(H,22,23,24,25)
InChIKeyWCGIBZMLLQRFCZ-UHFFFAOYSA-N
XLogP2.61
TPSA101.06 Ų
H-Bond Donors3
H-Bond Acceptors8
Rotatable Bonds10
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500404.54
LogP ≤ 52.61
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 108

Computed Properties (RDKit)

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

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Related Compounds

(2S)-2-(ethylamino)-N-[2-[2-methyl-6-[(5-phenyl-1,3-thiazol-2-yl)amino]pyrimidin-4-yl]oxyethyl]propanamide
CID 155589638
(2S)-2-(methylamino)-N-[2-[2-methyl-6-[(5-phenyl-1,3-thiazol-2-yl)amino]pyrimidin-4-yl]oxyethyl]propanamide
CID 155589644
N-[2-[2-[6-[(5-cyclobutyl-1,3-thiazol-2-yl)amino]-2-ethylpyrimidin-4-yl]oxyethylamino]-2-oxoethyl]-N-methylprop-2-enamide
CID 155589670
tert-butyl N-[2-[6-[(5-cyclobutyl-1,3-thiazol-2-yl)amino]-2-ethylpyrimidin-4-yl]oxyethyl]carbamate
CID 155589677
(2S)-N-[2-[[6-[(5-cyclobutyl-1,3-thiazol-2-yl)amino]-2-ethylpyrimidin-4-yl]amino]ethyl]-2-(methylamino)propanamide
CID 155589705
tert-butyl N-[(2S)-1-[2-[6-[(5-cyclobutyl-1,3-thiazol-2-yl)amino]-2-ethylpyrimidin-4-yl]oxyethylamino]-1-oxopropan-2-yl]-N-methylcarbamate
CID 155589710
N-[6-(2-aminoethoxy)-2-ethylpyrimidin-4-yl]-5-cyclobutyl-1,3-thiazol-2-amine
CID 155589729
(2S)-N-[2-[6-[(5-cyclobutyl-1,3-thiazol-2-yl)amino]-2-ethylpyrimidin-4-yl]oxyethyl]-2-[methyl(prop-2-enoyl)amino]propanamide
CID 155589738
N-[2-[2-[6-[(5-cyclobutyl-1,3-thiazol-2-yl)amino]-2-ethylpyrimidin-4-yl]oxyethylamino]-2-oxoethyl]-N-methylprop-2-enamide;ethane
CID 155589769
2-(methylamino)-N-[2-[2-methyl-6-[(5-phenyl-1,3-thiazol-2-yl)amino]pyrimidin-4-yl]oxyethyl]propanamide
CID 155589781
(2S)-N-[2-[6-[(5-cyclobutyl-1,3-thiazol-2-yl)amino]-2-ethylpyrimidin-4-yl]oxyethyl]-2-(methylamino)propanamide
CID 155589834
(2S)-N-[2-[6-[(5-cyclohexa-2,4-dien-1-yl-1,3-thiazol-2-yl)amino]-2-methylpyrimidin-4-yl]oxyethyl]-4-methyl-1-prop-2-enoylpiperazine-2-carboxamide
CID 155589835

Frequently Asked Questions

What is the IUPAC name of N-[2-[6-[(5-cyclobutyl-1,3-thiazol-2-yl)amino]-2-ethylpyrimidin-4-yl]oxyethyl]-2-(methylamino)propanamide?
The IUPAC name of N-[2-[6-[(5-cyclobutyl-1,3-thiazol-2-yl)amino]-2-ethylpyrimidin-4-yl]oxyethyl]-2-(methylamino)propanamide (CID 165152623) is N-[2-[6-[(5-cyclobutyl-1,3-thiazol-2-yl)amino]-2-ethylpyrimidin-4-yl]oxyethyl]-2-(methylamino)propanamide.
What is the SMILES notation for N-[2-[6-[(5-cyclobutyl-1,3-thiazol-2-yl)amino]-2-ethylpyrimidin-4-yl]oxyethyl]-2-(methylamino)propanamide?
The canonical SMILES for N-[2-[6-[(5-cyclobutyl-1,3-thiazol-2-yl)amino]-2-ethylpyrimidin-4-yl]oxyethyl]-2-(methylamino)propanamide is CCc1nc(Nc2ncc(C3CCC3)s2)cc(OCCNC(=O)C(C)NC)n1.
What is the InChIKey of N-[2-[6-[(5-cyclobutyl-1,3-thiazol-2-yl)amino]-2-ethylpyrimidin-4-yl]oxyethyl]-2-(methylamino)propanamide?
The InChIKey is WCGIBZMLLQRFCZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H28N6O2S/c1-4-15-23-16(25-19-22-11-14(28-19)13-6-5-7-13)10-17(24-15)27-9-8-21-18(26)12(2)20-3/h10-13,20H,4-9H2,1-3H3,(H,21,26)(H,22,23,24,25).
What are the key properties of N-[2-[6-[(5-cyclobutyl-1,3-thiazol-2-yl)amino]-2-ethylpyrimidin-4-yl]oxyethyl]-2-(methylamino)propanamide?
N-[2-[6-[(5-cyclobutyl-1,3-thiazol-2-yl)amino]-2-ethylpyrimidin-4-yl]oxyethyl]-2-(methylamino)propanamide has a molecular weight of 404.54 g/mol, XLogP of 2.61, 10 rotatable bonds, 3 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[6-[(5-cyclobutyl-1,3-thiazol-2-yl)amino]-2-ethylpyrimidin-4-yl]oxyethyl]-2-(methylamino)propanamide is sourced from PubChem (CID 165152623), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).