2-methoxy-N-[(1-methylpyrazol-4-yl)methyl]-N-propan-2-ylpyrimidine-5-carboxamide

C14H19N5O2 — CID 56740914

IUPAC2-methoxy-N-[(1-methylpyrazol-4-yl)methyl]-N-propan-2-ylpyrimidine-5-carboxamide
SMILESCOc1ncc(C(=O)N(Cc2cnn(C)c2)C(C)C)cn1
InChIInChI=1S/C14H19N5O2/c1-10(2)19(9-11-5-17-18(3)8-11)13(20)12-6-15-14(21-4)16-7-12/h5-8,10H,9H2,1-4H3
InChIKeyOUVHATPZPGCSJY-UHFFFAOYSA-N
MW289.34 g/mol
LogP1.27
Rot. Bonds5

About 2-methoxy-N-[(1-methylpyrazol-4-yl)methyl]-N-propan-2-ylpyrimidine-5-carboxamide

2-methoxy-N-[(1-methylpyrazol-4-yl)methyl]-N-propan-2-ylpyrimidine-5-carboxamide (PubChem CID 56740914) has the molecular formula C14H19N5O2 and a molecular weight of 289.34 g/mol. Its IUPAC name is 2-methoxy-N-[(1-methylpyrazol-4-yl)methyl]-N-propan-2-ylpyrimidine-5-carboxamide.

Molecular Properties

Compound Name2-methoxy-N-[(1-methylpyrazol-4-yl)methyl]-N-propan-2-ylpyrimidine-5-carboxamide
PubChem CID56740914
Molecular FormulaC14H19N5O2
Molecular Weight289.34 g/mol
Exact Mass289.15
IUPAC Name2-methoxy-N-[(1-methylpyrazol-4-yl)methyl]-N-propan-2-ylpyrimidine-5-carboxamide
SMILESCOc1ncc(C(=O)N(Cc2cnn(C)c2)C(C)C)cn1
InChIInChI=1S/C14H19N5O2/c1-10(2)19(9-11-5-17-18(3)8-11)13(20)12-6-15-14(21-4)16-7-12/h5-8,10H,9H2,1-4H3
InChIKeyOUVHATPZPGCSJY-UHFFFAOYSA-N
XLogP1.27
TPSA73.14 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500289.34
LogP ≤ 51.27
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 2-methoxy-N-[(1-methylpyrazol-4-yl)methyl]-N-propan-2-ylpyrimidine-5-carboxamide?
The IUPAC name of 2-methoxy-N-[(1-methylpyrazol-4-yl)methyl]-N-propan-2-ylpyrimidine-5-carboxamide (CID 56740914) is 2-methoxy-N-[(1-methylpyrazol-4-yl)methyl]-N-propan-2-ylpyrimidine-5-carboxamide.
What is the SMILES notation for 2-methoxy-N-[(1-methylpyrazol-4-yl)methyl]-N-propan-2-ylpyrimidine-5-carboxamide?
The canonical SMILES for 2-methoxy-N-[(1-methylpyrazol-4-yl)methyl]-N-propan-2-ylpyrimidine-5-carboxamide is COc1ncc(C(=O)N(Cc2cnn(C)c2)C(C)C)cn1.
What is the InChIKey of 2-methoxy-N-[(1-methylpyrazol-4-yl)methyl]-N-propan-2-ylpyrimidine-5-carboxamide?
The InChIKey is OUVHATPZPGCSJY-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19N5O2/c1-10(2)19(9-11-5-17-18(3)8-11)13(20)12-6-15-14(21-4)16-7-12/h5-8,10H,9H2,1-4H3.
What are the key properties of 2-methoxy-N-[(1-methylpyrazol-4-yl)methyl]-N-propan-2-ylpyrimidine-5-carboxamide?
2-methoxy-N-[(1-methylpyrazol-4-yl)methyl]-N-propan-2-ylpyrimidine-5-carboxamide has a molecular weight of 289.34 g/mol, XLogP of 1.27, 5 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methoxy-N-[(1-methylpyrazol-4-yl)methyl]-N-propan-2-ylpyrimidine-5-carboxamide is sourced from PubChem (CID 56740914), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).