N-(1-ethoxy-2-methylpropan-2-yl)-4-propylpyrimidine-5-carboxamide

C14H23N3O2 — CID 77088387

IUPACN-(1-ethoxy-2-methylpropan-2-yl)-4-propylpyrimidine-5-carboxamide
SMILESCCCc1ncncc1C(=O)NC(C)(C)COCC
InChIInChI=1S/C14H23N3O2/c1-5-7-12-11(8-15-10-16-12)13(18)17-14(3,4)9-19-6-2/h8,10H,5-7,9H2,1-4H3,(H,17,18)
InChIKeyNIUNHEULFOXTPH-UHFFFAOYSA-N
MW265.36 g/mol
LogP1.97
Rot. Bonds7

About N-(1-ethoxy-2-methylpropan-2-yl)-4-propylpyrimidine-5-carboxamide

N-(1-ethoxy-2-methylpropan-2-yl)-4-propylpyrimidine-5-carboxamide (PubChem CID 77088387) has the molecular formula C14H23N3O2 and a molecular weight of 265.36 g/mol. Its IUPAC name is N-(1-ethoxy-2-methylpropan-2-yl)-4-propylpyrimidine-5-carboxamide.

Molecular Properties

Compound NameN-(1-ethoxy-2-methylpropan-2-yl)-4-propylpyrimidine-5-carboxamide
PubChem CID77088387
Molecular FormulaC14H23N3O2
Molecular Weight265.36 g/mol
Exact Mass265.18
IUPAC NameN-(1-ethoxy-2-methylpropan-2-yl)-4-propylpyrimidine-5-carboxamide
SMILESCCCc1ncncc1C(=O)NC(C)(C)COCC
InChIInChI=1S/C14H23N3O2/c1-5-7-12-11(8-15-10-16-12)13(18)17-14(3,4)9-19-6-2/h8,10H,5-7,9H2,1-4H3,(H,17,18)
InChIKeyNIUNHEULFOXTPH-UHFFFAOYSA-N
XLogP1.97
TPSA64.11 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500265.36
LogP ≤ 51.97
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-(1-ethoxy-2-methylpropan-2-yl)-4-propylpyrimidine-5-carboxamide?
The IUPAC name of N-(1-ethoxy-2-methylpropan-2-yl)-4-propylpyrimidine-5-carboxamide (CID 77088387) is N-(1-ethoxy-2-methylpropan-2-yl)-4-propylpyrimidine-5-carboxamide.
What is the SMILES notation for N-(1-ethoxy-2-methylpropan-2-yl)-4-propylpyrimidine-5-carboxamide?
The canonical SMILES for N-(1-ethoxy-2-methylpropan-2-yl)-4-propylpyrimidine-5-carboxamide is CCCc1ncncc1C(=O)NC(C)(C)COCC.
What is the InChIKey of N-(1-ethoxy-2-methylpropan-2-yl)-4-propylpyrimidine-5-carboxamide?
The InChIKey is NIUNHEULFOXTPH-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H23N3O2/c1-5-7-12-11(8-15-10-16-12)13(18)17-14(3,4)9-19-6-2/h8,10H,5-7,9H2,1-4H3,(H,17,18).
What are the key properties of N-(1-ethoxy-2-methylpropan-2-yl)-4-propylpyrimidine-5-carboxamide?
N-(1-ethoxy-2-methylpropan-2-yl)-4-propylpyrimidine-5-carboxamide has a molecular weight of 265.36 g/mol, XLogP of 1.97, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1-ethoxy-2-methylpropan-2-yl)-4-propylpyrimidine-5-carboxamide is sourced from PubChem (CID 77088387), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).