2-methyl-6-oxo-N-(3-propan-2-yloxypropyl)-1H-pyrimidine-5-carboxamide

C12H19N3O3 — CID 72934942

IUPAC2-methyl-6-oxo-N-(3-propan-2-yloxypropyl)-1H-pyrimidine-5-carboxamide
SMILESCc1ncc(C(=O)NCCCOC(C)C)c(=O)[nH]1
InChIInChI=1S/C12H19N3O3/c1-8(2)18-6-4-5-13-11(16)10-7-14-9(3)15-12(10)17/h7-8H,4-6H2,1-3H3,(H,13,16)(H,14,15,17)
InChIKeyKMNNDCWXZWRLBP-UHFFFAOYSA-N
MW253.30 g/mol
LogP0.62
Rot. Bonds6

About 2-methyl-6-oxo-N-(3-propan-2-yloxypropyl)-1H-pyrimidine-5-carboxamide

2-methyl-6-oxo-N-(3-propan-2-yloxypropyl)-1H-pyrimidine-5-carboxamide (PubChem CID 72934942) has the molecular formula C12H19N3O3 and a molecular weight of 253.30 g/mol. Its IUPAC name is 2-methyl-6-oxo-N-(3-propan-2-yloxypropyl)-1H-pyrimidine-5-carboxamide.

Molecular Properties

Compound Name2-methyl-6-oxo-N-(3-propan-2-yloxypropyl)-1H-pyrimidine-5-carboxamide
PubChem CID72934942
Molecular FormulaC12H19N3O3
Molecular Weight253.30 g/mol
Exact Mass253.14
IUPAC Name2-methyl-6-oxo-N-(3-propan-2-yloxypropyl)-1H-pyrimidine-5-carboxamide
SMILESCc1ncc(C(=O)NCCCOC(C)C)c(=O)[nH]1
InChIInChI=1S/C12H19N3O3/c1-8(2)18-6-4-5-13-11(16)10-7-14-9(3)15-12(10)17/h7-8H,4-6H2,1-3H3,(H,13,16)(H,14,15,17)
InChIKeyKMNNDCWXZWRLBP-UHFFFAOYSA-N
XLogP0.62
TPSA84.08 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500253.30
LogP ≤ 50.62
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

2-[2-(2,2-difluoroethoxy)ethyl]-5-(ethylaminomethyl)-1H-pyrimidin-6-one
CID 114206255
N,2-dimethyl-6-oxo-1,6-dihydropyrimidine-5-carboxamide
CID 50989028
4-oxo-N-(3-propan-2-yloxypropyl)pyrido[1,2-a]pyrimidine-3-carboxamide
CID 51075838
4-Hydroxy-N,N-bis(2-methoxyethyl)-2-methylpyrimidine-5-carboxamide
CID 72897875
N-{3-[(2R*,6S*)-2,6-dimethylmorpholin-4-yl]propyl}-4-hydroxy-2-methylpyrimidine-5-carboxamide
CID 72904643
2-cyclopropyl-N-(3-ethoxypropyl)-6-oxo-1,6-dihydropyrimidine-5-carboxamide
CID 74230436
2-cyclopropyl-N-(2-ethoxyethyl)-6-oxo-1,6-dihydropyrimidine-5-carboxamide
CID 74241342
N-[(2-methyl-6-oxo-1H-pyrimidin-5-yl)methyl]acetamide
CID 76852062
2-methyl-N-{3-[(1-methylpiperidin-4-yl)oxy]propyl}-6-oxo-1,6-dihydropyrimidine-5-carboxamide
CID 91765945
N,N,2-trimethyl-6-oxo-1H-pyrimidine-5-carboxamide
CID 95910172
5-(aminomethyl)-2-[2-(2-methoxyethoxy)ethyl]-1H-pyrimidin-6-one
CID 102929357
5-(aminomethyl)-2-(2-methoxyethyl)-1H-pyrimidin-6-one
CID 104189905

Frequently Asked Questions

What is the IUPAC name of 2-methyl-6-oxo-N-(3-propan-2-yloxypropyl)-1H-pyrimidine-5-carboxamide?
The IUPAC name of 2-methyl-6-oxo-N-(3-propan-2-yloxypropyl)-1H-pyrimidine-5-carboxamide (CID 72934942) is 2-methyl-6-oxo-N-(3-propan-2-yloxypropyl)-1H-pyrimidine-5-carboxamide.
What is the SMILES notation for 2-methyl-6-oxo-N-(3-propan-2-yloxypropyl)-1H-pyrimidine-5-carboxamide?
The canonical SMILES for 2-methyl-6-oxo-N-(3-propan-2-yloxypropyl)-1H-pyrimidine-5-carboxamide is Cc1ncc(C(=O)NCCCOC(C)C)c(=O)[nH]1.
What is the InChIKey of 2-methyl-6-oxo-N-(3-propan-2-yloxypropyl)-1H-pyrimidine-5-carboxamide?
The InChIKey is KMNNDCWXZWRLBP-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H19N3O3/c1-8(2)18-6-4-5-13-11(16)10-7-14-9(3)15-12(10)17/h7-8H,4-6H2,1-3H3,(H,13,16)(H,14,15,17).
What are the key properties of 2-methyl-6-oxo-N-(3-propan-2-yloxypropyl)-1H-pyrimidine-5-carboxamide?
2-methyl-6-oxo-N-(3-propan-2-yloxypropyl)-1H-pyrimidine-5-carboxamide has a molecular weight of 253.30 g/mol, XLogP of 0.62, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-6-oxo-N-(3-propan-2-yloxypropyl)-1H-pyrimidine-5-carboxamide is sourced from PubChem (CID 72934942), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).