2-tert-butyl-N-[(2S)-1-imidazol-1-ylpropan-2-yl]-4-methyl-6-oxo-1H-pyrimidine-5-carboxamide

C16H23N5O2 — CID 136722495

IUPAC2-tert-butyl-N-[(2S)-1-imidazol-1-ylpropan-2-yl]-4-methyl-6-oxo-1H-pyrimidine-5-carboxamide
SMILESCc1nc(C(C)(C)C)[nH]c(=O)c1C(=O)N[C@@H](C)Cn1ccnc1
InChIInChI=1S/C16H23N5O2/c1-10(8-21-7-6-17-9-21)18-13(22)12-11(2)19-15(16(3,4)5)20-14(12)23/h6-7,9-10H,8H2,1-5H3,(H,18,22)(H,19,20,23)/t10-/m0/s1
InChIKeyPZYYTPJLEBGOTE-JTQLQIEISA-N
MW317.39 g/mol
LogP1.39
Rot. Bonds4

About 2-tert-butyl-N-[(2S)-1-imidazol-1-ylpropan-2-yl]-4-methyl-6-oxo-1H-pyrimidine-5-carboxamide

2-tert-butyl-N-[(2S)-1-imidazol-1-ylpropan-2-yl]-4-methyl-6-oxo-1H-pyrimidine-5-carboxamide (PubChem CID 136722495) has the molecular formula C16H23N5O2 and a molecular weight of 317.39 g/mol. Its IUPAC name is 2-tert-butyl-N-[(2S)-1-imidazol-1-ylpropan-2-yl]-4-methyl-6-oxo-1H-pyrimidine-5-carboxamide.

Molecular Properties

Compound Name2-tert-butyl-N-[(2S)-1-imidazol-1-ylpropan-2-yl]-4-methyl-6-oxo-1H-pyrimidine-5-carboxamide
PubChem CID136722495
Molecular FormulaC16H23N5O2
Molecular Weight317.39 g/mol
Exact Mass317.19
IUPAC Name2-tert-butyl-N-[(2S)-1-imidazol-1-ylpropan-2-yl]-4-methyl-6-oxo-1H-pyrimidine-5-carboxamide
SMILESCc1nc(C(C)(C)C)[nH]c(=O)c1C(=O)N[C@@H](C)Cn1ccnc1
InChIInChI=1S/C16H23N5O2/c1-10(8-21-7-6-17-9-21)18-13(22)12-11(2)19-15(16(3,4)5)20-14(12)23/h6-7,9-10H,8H2,1-5H3,(H,18,22)(H,19,20,23)/t10-/m0/s1
InChIKeyPZYYTPJLEBGOTE-JTQLQIEISA-N
XLogP1.39
TPSA92.67 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500317.39
LogP ≤ 51.39
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Analyze 2-tert-butyl-N-[(2S)-1-imidazol-1-ylpropan-2-yl]-4-methyl-6-oxo-1H-pyrimidine-5-carboxamide with MolForge

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Related Compounds

2-tert-butyl-N-[(2S)-1-(furan-2-yl)propan-2-yl]-4-methyl-6-oxo-1H-pyrimidine-5-carboxamide
CID 136722493
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CID 47187508
N-[(2R)-1-imidazol-1-ylpropan-2-yl]-2-methyl-6-phenylpyridine-3-carboxamide
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CID 62185317
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CID 94448585
2-(1-imidazol-1-ylpropan-2-ylamino)-2-oxoacetic acid
CID 61480681
4-chloro-N-(1-imidazol-1-ylpropan-2-yl)-1H-pyrrole-2-carboxamide
CID 47187642
5-bromo-N-(1-imidazol-1-ylpropan-2-yl)-2-methylbenzamide
CID 65311773
N-(1-imidazol-1-ylpropan-2-yl)-3-(propylamino)pyridine-4-carboxamide
CID 105069520
N-[2-[[(2S)-1-imidazol-1-ylpropan-2-yl]carbamoylamino]ethyl]-2-methylpropanamide
CID 94162041
N-(3-aminopropyl)-2-tert-butyl-4-methyl-6-oxo-1H-pyrimidine-5-carboxamide
CID 137052613

Frequently Asked Questions

What is the IUPAC name of 2-tert-butyl-N-[(2S)-1-imidazol-1-ylpropan-2-yl]-4-methyl-6-oxo-1H-pyrimidine-5-carboxamide?
The IUPAC name of 2-tert-butyl-N-[(2S)-1-imidazol-1-ylpropan-2-yl]-4-methyl-6-oxo-1H-pyrimidine-5-carboxamide (CID 136722495) is 2-tert-butyl-N-[(2S)-1-imidazol-1-ylpropan-2-yl]-4-methyl-6-oxo-1H-pyrimidine-5-carboxamide.
What is the SMILES notation for 2-tert-butyl-N-[(2S)-1-imidazol-1-ylpropan-2-yl]-4-methyl-6-oxo-1H-pyrimidine-5-carboxamide?
The canonical SMILES for 2-tert-butyl-N-[(2S)-1-imidazol-1-ylpropan-2-yl]-4-methyl-6-oxo-1H-pyrimidine-5-carboxamide is Cc1nc(C(C)(C)C)[nH]c(=O)c1C(=O)N[C@@H](C)Cn1ccnc1.
What is the InChIKey of 2-tert-butyl-N-[(2S)-1-imidazol-1-ylpropan-2-yl]-4-methyl-6-oxo-1H-pyrimidine-5-carboxamide?
The InChIKey is PZYYTPJLEBGOTE-JTQLQIEISA-N. The full InChI is InChI=1S/C16H23N5O2/c1-10(8-21-7-6-17-9-21)18-13(22)12-11(2)19-15(16(3,4)5)20-14(12)23/h6-7,9-10H,8H2,1-5H3,(H,18,22)(H,19,20,23)/t10-/m0/s1.
What are the key properties of 2-tert-butyl-N-[(2S)-1-imidazol-1-ylpropan-2-yl]-4-methyl-6-oxo-1H-pyrimidine-5-carboxamide?
2-tert-butyl-N-[(2S)-1-imidazol-1-ylpropan-2-yl]-4-methyl-6-oxo-1H-pyrimidine-5-carboxamide has a molecular weight of 317.39 g/mol, XLogP of 1.39, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-tert-butyl-N-[(2S)-1-imidazol-1-ylpropan-2-yl]-4-methyl-6-oxo-1H-pyrimidine-5-carboxamide is sourced from PubChem (CID 136722495), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).