2-tert-butyl-N-[(2S)-3-ethyl-2-hydroxypentyl]-4-methyl-6-oxo-1H-pyrimidine-5-carboxamide

C17H29N3O3 — CID 136706823

IUPAC2-tert-butyl-N-[(2S)-3-ethyl-2-hydroxypentyl]-4-methyl-6-oxo-1H-pyrimidine-5-carboxamide
SMILESCCC(CC)[C@H](O)CNC(=O)c1c(C)nc(C(C)(C)C)[nH]c1=O
InChIInChI=1S/C17H29N3O3/c1-7-11(8-2)12(21)9-18-14(22)13-10(3)19-16(17(4,5)6)20-15(13)23/h11-12,21H,7-9H2,1-6H3,(H,18,22)(H,19,20,23)/t12-/m1/s1
InChIKeyRVUNEIWSRXQRMI-GFCCVEGCSA-N
MW323.44 g/mol
LogP1.90
Rot. Bonds6

About 2-tert-butyl-N-[(2S)-3-ethyl-2-hydroxypentyl]-4-methyl-6-oxo-1H-pyrimidine-5-carboxamide

2-tert-butyl-N-[(2S)-3-ethyl-2-hydroxypentyl]-4-methyl-6-oxo-1H-pyrimidine-5-carboxamide (PubChem CID 136706823) has the molecular formula C17H29N3O3 and a molecular weight of 323.44 g/mol. Its IUPAC name is 2-tert-butyl-N-[(2S)-3-ethyl-2-hydroxypentyl]-4-methyl-6-oxo-1H-pyrimidine-5-carboxamide.

Molecular Properties

Compound Name2-tert-butyl-N-[(2S)-3-ethyl-2-hydroxypentyl]-4-methyl-6-oxo-1H-pyrimidine-5-carboxamide
PubChem CID136706823
Molecular FormulaC17H29N3O3
Molecular Weight323.44 g/mol
Exact Mass323.22
IUPAC Name2-tert-butyl-N-[(2S)-3-ethyl-2-hydroxypentyl]-4-methyl-6-oxo-1H-pyrimidine-5-carboxamide
SMILESCCC(CC)[C@H](O)CNC(=O)c1c(C)nc(C(C)(C)C)[nH]c1=O
InChIInChI=1S/C17H29N3O3/c1-7-11(8-2)12(21)9-18-14(22)13-10(3)19-16(17(4,5)6)20-15(13)23/h11-12,21H,7-9H2,1-6H3,(H,18,22)(H,19,20,23)/t12-/m1/s1
InChIKeyRVUNEIWSRXQRMI-GFCCVEGCSA-N
XLogP1.90
TPSA95.08 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500323.44
LogP ≤ 51.90
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Analyze 2-tert-butyl-N-[(2S)-3-ethyl-2-hydroxypentyl]-4-methyl-6-oxo-1H-pyrimidine-5-carboxamide with MolForge

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Related Compounds

2-cyclopropyl-N-(1-hydroxybutan-2-yl)-4-methyl-6-oxo-1H-pyrimidine-5-carboxamide
CID 136035859
5-(3-hydroxypiperidine-1-carbonyl)-4-methyl-2-propan-2-yl-1H-pyrimidin-6-one
CID 136062332
N-(2-hydroxypropyl)-N,4-dimethyl-6-oxo-2-propan-2-yl-1H-pyrimidine-5-carboxamide
CID 136069207
N-(2-hydroxycyclohexyl)-4-methyl-6-oxo-2-propan-2-yl-1H-pyrimidine-5-carboxamide
CID 136070519
N-(2-cyclopropyl-2-hydroxyethyl)-4-methyl-6-oxo-2-propan-2-yl-1H-pyrimidine-5-carboxamide
CID 136118314
2-cyclopropyl-N-(2-cyclopropyl-2-hydroxyethyl)-4-methyl-6-oxo-1H-pyrimidine-5-carboxamide
CID 136118316
N-(1-hydroxy-4-methylpentan-2-yl)-4-methyl-6-oxo-2-propan-2-yl-1H-pyrimidine-5-carboxamide
CID 136136056
2-cyclopropyl-N-(1-hydroxy-4-methylpentan-2-yl)-4-methyl-6-oxo-1H-pyrimidine-5-carboxamide
CID 136136077
N-(2-hydroxyethyl)-4-methyl-6-oxo-2-propan-2-yl-1H-pyrimidine-5-carboxamide
CID 136164350
5-[4-(hydroxymethyl)piperidine-1-carbonyl]-4-methyl-2-propan-2-yl-1H-pyrimidin-6-one
CID 136185803
2-tert-butyl-N-(2-methoxy-3,3-dimethylbutyl)-4-methyl-6-oxo-1H-pyrimidine-5-carboxamide
CID 136226414
2-tert-butyl-N-(3-ethyl-2-hydroxypentyl)-4-methyl-6-oxo-1H-pyrimidine-5-carboxamide
CID 136227509

Frequently Asked Questions

What is the IUPAC name of 2-tert-butyl-N-[(2S)-3-ethyl-2-hydroxypentyl]-4-methyl-6-oxo-1H-pyrimidine-5-carboxamide?
The IUPAC name of 2-tert-butyl-N-[(2S)-3-ethyl-2-hydroxypentyl]-4-methyl-6-oxo-1H-pyrimidine-5-carboxamide (CID 136706823) is 2-tert-butyl-N-[(2S)-3-ethyl-2-hydroxypentyl]-4-methyl-6-oxo-1H-pyrimidine-5-carboxamide.
What is the SMILES notation for 2-tert-butyl-N-[(2S)-3-ethyl-2-hydroxypentyl]-4-methyl-6-oxo-1H-pyrimidine-5-carboxamide?
The canonical SMILES for 2-tert-butyl-N-[(2S)-3-ethyl-2-hydroxypentyl]-4-methyl-6-oxo-1H-pyrimidine-5-carboxamide is CCC(CC)[C@H](O)CNC(=O)c1c(C)nc(C(C)(C)C)[nH]c1=O.
What is the InChIKey of 2-tert-butyl-N-[(2S)-3-ethyl-2-hydroxypentyl]-4-methyl-6-oxo-1H-pyrimidine-5-carboxamide?
The InChIKey is RVUNEIWSRXQRMI-GFCCVEGCSA-N. The full InChI is InChI=1S/C17H29N3O3/c1-7-11(8-2)12(21)9-18-14(22)13-10(3)19-16(17(4,5)6)20-15(13)23/h11-12,21H,7-9H2,1-6H3,(H,18,22)(H,19,20,23)/t12-/m1/s1.
What are the key properties of 2-tert-butyl-N-[(2S)-3-ethyl-2-hydroxypentyl]-4-methyl-6-oxo-1H-pyrimidine-5-carboxamide?
2-tert-butyl-N-[(2S)-3-ethyl-2-hydroxypentyl]-4-methyl-6-oxo-1H-pyrimidine-5-carboxamide has a molecular weight of 323.44 g/mol, XLogP of 1.90, 6 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-tert-butyl-N-[(2S)-3-ethyl-2-hydroxypentyl]-4-methyl-6-oxo-1H-pyrimidine-5-carboxamide is sourced from PubChem (CID 136706823), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).