propan-2-yl (2S)-3-[(2,6-dimethylpyrimidine-4-carbonyl)amino]-2-methylpropanoate

C14H21N3O3 — CID 97353365

IUPACpropan-2-yl (2S)-3-[(2,6-dimethylpyrimidine-4-carbonyl)amino]-2-methylpropanoate
SMILESCc1cc(C(=O)NC[C@H](C)C(=O)OC(C)C)nc(C)n1
InChIInChI=1S/C14H21N3O3/c1-8(2)20-14(19)9(3)7-15-13(18)12-6-10(4)16-11(5)17-12/h6,8-9H,7H2,1-5H3,(H,15,18)/t9-/m0/s1
InChIKeyHGMITWVLJCMMSJ-VIFPVBQESA-N
MW279.34 g/mol
LogP1.41
Rot. Bonds5

About propan-2-yl (2S)-3-[(2,6-dimethylpyrimidine-4-carbonyl)amino]-2-methylpropanoate

propan-2-yl (2S)-3-[(2,6-dimethylpyrimidine-4-carbonyl)amino]-2-methylpropanoate (PubChem CID 97353365) has the molecular formula C14H21N3O3 and a molecular weight of 279.34 g/mol. Its IUPAC name is propan-2-yl (2S)-3-[(2,6-dimethylpyrimidine-4-carbonyl)amino]-2-methylpropanoate.

Molecular Properties

Compound Namepropan-2-yl (2S)-3-[(2,6-dimethylpyrimidine-4-carbonyl)amino]-2-methylpropanoate
PubChem CID97353365
Molecular FormulaC14H21N3O3
Molecular Weight279.34 g/mol
Exact Mass279.16
IUPAC Namepropan-2-yl (2S)-3-[(2,6-dimethylpyrimidine-4-carbonyl)amino]-2-methylpropanoate
SMILESCc1cc(C(=O)NC[C@H](C)C(=O)OC(C)C)nc(C)n1
InChIInChI=1S/C14H21N3O3/c1-8(2)20-14(19)9(3)7-15-13(18)12-6-10(4)16-11(5)17-12/h6,8-9H,7H2,1-5H3,(H,15,18)/t9-/m0/s1
InChIKeyHGMITWVLJCMMSJ-VIFPVBQESA-N
XLogP1.41
TPSA81.18 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500279.34
LogP ≤ 51.41
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

2,6-dimethyl-N-propan-2-ylpyrimidine-4-carboxamide
CID 110847887
propan-2-yl (2S)-3-[(6-iodo-5-methoxypyridine-2-carbonyl)amino]-2-methylpropanoate
CID 97247030
6-methyl-N-(2-methylpropyl)-2-(2-methylpropylamino)pyrimidine-4-carboxamide
CID 109320796
2-amino-6-methyl-N-(2-propan-2-yloxyethyl)pyrimidine-4-carboxamide
CID 114220427
2,6-dimethyl-N-[2-[methyl(methylsulfonyl)amino]ethyl]pyrimidine-4-carboxamide
CID 50960691
propan-2-yl 2-methyl-3-[(6-methylpyrimidin-4-yl)amino]propanoate
CID 133325454
N-[(2-methoxyphenyl)methyl]-2,6-dimethylpyrimidine-4-carboxamide
CID 110851542
N-[(2S)-1-amino-1-oxo-3-phenylpropan-2-yl]-2,6-dimethylpyrimidine-4-carboxamide
CID 131889440
N-[2-(4-fluorophenyl)-2-piperidin-1-ylethyl]-2,6-dimethylpyrimidine-4-carboxamide
CID 118782996
2-amino-6-methyl-N-(3-methylbutyl)pyrimidine-4-carboxamide
CID 82171955
2,6-dimethyl-N-[(1-propan-2-ylbenzimidazol-2-yl)methyl]pyrimidine-4-carboxamide
CID 131901796
propan-2-yl 3-[(4-amino-5-chloro-2-methoxybenzoyl)amino]-2-methylpropanoate
CID 119809764

Frequently Asked Questions

What is the IUPAC name of propan-2-yl (2S)-3-[(2,6-dimethylpyrimidine-4-carbonyl)amino]-2-methylpropanoate?
The IUPAC name of propan-2-yl (2S)-3-[(2,6-dimethylpyrimidine-4-carbonyl)amino]-2-methylpropanoate (CID 97353365) is propan-2-yl (2S)-3-[(2,6-dimethylpyrimidine-4-carbonyl)amino]-2-methylpropanoate.
What is the SMILES notation for propan-2-yl (2S)-3-[(2,6-dimethylpyrimidine-4-carbonyl)amino]-2-methylpropanoate?
The canonical SMILES for propan-2-yl (2S)-3-[(2,6-dimethylpyrimidine-4-carbonyl)amino]-2-methylpropanoate is Cc1cc(C(=O)NC[C@H](C)C(=O)OC(C)C)nc(C)n1.
What is the InChIKey of propan-2-yl (2S)-3-[(2,6-dimethylpyrimidine-4-carbonyl)amino]-2-methylpropanoate?
The InChIKey is HGMITWVLJCMMSJ-VIFPVBQESA-N. The full InChI is InChI=1S/C14H21N3O3/c1-8(2)20-14(19)9(3)7-15-13(18)12-6-10(4)16-11(5)17-12/h6,8-9H,7H2,1-5H3,(H,15,18)/t9-/m0/s1.
What are the key properties of propan-2-yl (2S)-3-[(2,6-dimethylpyrimidine-4-carbonyl)amino]-2-methylpropanoate?
propan-2-yl (2S)-3-[(2,6-dimethylpyrimidine-4-carbonyl)amino]-2-methylpropanoate has a molecular weight of 279.34 g/mol, XLogP of 1.41, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for propan-2-yl (2S)-3-[(2,6-dimethylpyrimidine-4-carbonyl)amino]-2-methylpropanoate is sourced from PubChem (CID 97353365), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).