2-(methylamino)-N-[(5-propan-2-yl-1,2,4-oxadiazol-3-yl)methyl]pyrimidine-5-carboxamide

C12H16N6O2 — CID 131920608

IUPAC2-(methylamino)-N-[(5-propan-2-yl-1,2,4-oxadiazol-3-yl)methyl]pyrimidine-5-carboxamide
SMILESCNc1ncc(C(=O)NCc2noc(C(C)C)n2)cn1
InChIInChI=1S/C12H16N6O2/c1-7(2)11-17-9(18-20-11)6-14-10(19)8-4-15-12(13-3)16-5-8/h4-5,7H,6H2,1-3H3,(H,14,19)(H,13,15,16)
InChIKeyPFLZLACANJUOMA-UHFFFAOYSA-N
MW276.30 g/mol
LogP0.95
Rot. Bonds5

About 2-(methylamino)-N-[(5-propan-2-yl-1,2,4-oxadiazol-3-yl)methyl]pyrimidine-5-carboxamide

2-(methylamino)-N-[(5-propan-2-yl-1,2,4-oxadiazol-3-yl)methyl]pyrimidine-5-carboxamide (PubChem CID 131920608) has the molecular formula C12H16N6O2 and a molecular weight of 276.30 g/mol. Its IUPAC name is 2-(methylamino)-N-[(5-propan-2-yl-1,2,4-oxadiazol-3-yl)methyl]pyrimidine-5-carboxamide.

Molecular Properties

Compound Name2-(methylamino)-N-[(5-propan-2-yl-1,2,4-oxadiazol-3-yl)methyl]pyrimidine-5-carboxamide
PubChem CID131920608
Molecular FormulaC12H16N6O2
Molecular Weight276.30 g/mol
Exact Mass276.13
IUPAC Name2-(methylamino)-N-[(5-propan-2-yl-1,2,4-oxadiazol-3-yl)methyl]pyrimidine-5-carboxamide
SMILESCNc1ncc(C(=O)NCc2noc(C(C)C)n2)cn1
InChIInChI=1S/C12H16N6O2/c1-7(2)11-17-9(18-20-11)6-14-10(19)8-4-15-12(13-3)16-5-8/h4-5,7H,6H2,1-3H3,(H,14,19)(H,13,15,16)
InChIKeyPFLZLACANJUOMA-UHFFFAOYSA-N
XLogP0.95
TPSA105.83 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500276.30
LogP ≤ 50.95
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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Related Compounds

2-(3-imidazol-1-ylpropylamino)-N-(2-methylpropyl)-4-(2-methylpropylamino)pyrimidine-5-carboxamide
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US9670193, 26 (R)-N-(1-(dimethylamino)propan-2-yl)-2-(5-(trifluoromethyl)-1,2,4-oxadiazol-3-yl)pyrimidine-5-carboxamide
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N-Propyl-2-(pyrrolidin-1-YL)pyrimidine-5-carboxamide
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N-ethyl-2-pyrrolidin-1-ylpyrimidine-5-carboxamide
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N-Ethyl-5-{3-[(1-methylpiperidin-4-YL)methyl]-1,2,4-oxadiazol-5-YL}pyrimidin-2-amine
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1-(2-methoxypyrimidin-5-yl)-N-methyl-N-[(5-methyl-1,2,4-oxadiazol-3-yl)methyl]methanamine
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5-{[3-(dimethylamino)-1-pyrrolidinyl]carbonyl}-N-ethyl-2-pyrimidinamine
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5-Ethyl-N-[(5-isopropyl-1,2,4-oxadiazol-3-YL)methyl]-N-methylpyrimidin-2-amine
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N-{[5-(aminocarbonyl)-1,2,4-oxadiazol-3-yl]methyl}-2-ethyl-5-pyrimidinecarboxamide
CID 72924317
N-[3-(1H-imidazol-1-yl)propyl]-2-isopropylpyrimidine-5-carboxamide
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Frequently Asked Questions

What is the IUPAC name of 2-(methylamino)-N-[(5-propan-2-yl-1,2,4-oxadiazol-3-yl)methyl]pyrimidine-5-carboxamide?
The IUPAC name of 2-(methylamino)-N-[(5-propan-2-yl-1,2,4-oxadiazol-3-yl)methyl]pyrimidine-5-carboxamide (CID 131920608) is 2-(methylamino)-N-[(5-propan-2-yl-1,2,4-oxadiazol-3-yl)methyl]pyrimidine-5-carboxamide.
What is the SMILES notation for 2-(methylamino)-N-[(5-propan-2-yl-1,2,4-oxadiazol-3-yl)methyl]pyrimidine-5-carboxamide?
The canonical SMILES for 2-(methylamino)-N-[(5-propan-2-yl-1,2,4-oxadiazol-3-yl)methyl]pyrimidine-5-carboxamide is CNc1ncc(C(=O)NCc2noc(C(C)C)n2)cn1.
What is the InChIKey of 2-(methylamino)-N-[(5-propan-2-yl-1,2,4-oxadiazol-3-yl)methyl]pyrimidine-5-carboxamide?
The InChIKey is PFLZLACANJUOMA-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H16N6O2/c1-7(2)11-17-9(18-20-11)6-14-10(19)8-4-15-12(13-3)16-5-8/h4-5,7H,6H2,1-3H3,(H,14,19)(H,13,15,16).
What are the key properties of 2-(methylamino)-N-[(5-propan-2-yl-1,2,4-oxadiazol-3-yl)methyl]pyrimidine-5-carboxamide?
2-(methylamino)-N-[(5-propan-2-yl-1,2,4-oxadiazol-3-yl)methyl]pyrimidine-5-carboxamide has a molecular weight of 276.30 g/mol, XLogP of 0.95, 5 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(methylamino)-N-[(5-propan-2-yl-1,2,4-oxadiazol-3-yl)methyl]pyrimidine-5-carboxamide is sourced from PubChem (CID 131920608), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).