N-(oxan-4-yl)-1,4-dihydropyrimidine-6-carboxamide

C10H15N3O2 — CID 69176014

IUPACN-(oxan-4-yl)-1,4-dihydropyrimidine-6-carboxamide
SMILESO=C(NC1CCOCC1)C1=CCN=CN1
InChIInChI=1S/C10H15N3O2/c14-10(9-1-4-11-7-12-9)13-8-2-5-15-6-3-8/h1,7-8H,2-6H2,(H,11,12)(H,13,14)
InChIKeyNQAFXRYMMIIMTG-UHFFFAOYSA-N
MW209.25 g/mol
LogP-0.20
Rot. Bonds2

About N-(oxan-4-yl)-1,4-dihydropyrimidine-6-carboxamide

N-(oxan-4-yl)-1,4-dihydropyrimidine-6-carboxamide (PubChem CID 69176014) has the molecular formula C10H15N3O2 and a molecular weight of 209.25 g/mol. Its IUPAC name is N-(oxan-4-yl)-1,4-dihydropyrimidine-6-carboxamide.

Molecular Properties

Compound NameN-(oxan-4-yl)-1,4-dihydropyrimidine-6-carboxamide
PubChem CID69176014
Molecular FormulaC10H15N3O2
Molecular Weight209.25 g/mol
Exact Mass209.12
IUPAC NameN-(oxan-4-yl)-1,4-dihydropyrimidine-6-carboxamide
SMILESO=C(NC1CCOCC1)C1=CCN=CN1
InChIInChI=1S/C10H15N3O2/c14-10(9-1-4-11-7-12-9)13-8-2-5-15-6-3-8/h1,7-8H,2-6H2,(H,11,12)(H,13,14)
InChIKeyNQAFXRYMMIIMTG-UHFFFAOYSA-N
XLogP-0.20
TPSA62.72 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500209.25
LogP ≤ 5-0.20
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-(oxan-4-yl)-1,4-dihydropyrimidine-6-carboxamide?
The IUPAC name of N-(oxan-4-yl)-1,4-dihydropyrimidine-6-carboxamide (CID 69176014) is N-(oxan-4-yl)-1,4-dihydropyrimidine-6-carboxamide.
What is the SMILES notation for N-(oxan-4-yl)-1,4-dihydropyrimidine-6-carboxamide?
The canonical SMILES for N-(oxan-4-yl)-1,4-dihydropyrimidine-6-carboxamide is O=C(NC1CCOCC1)C1=CCN=CN1.
What is the InChIKey of N-(oxan-4-yl)-1,4-dihydropyrimidine-6-carboxamide?
The InChIKey is NQAFXRYMMIIMTG-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H15N3O2/c14-10(9-1-4-11-7-12-9)13-8-2-5-15-6-3-8/h1,7-8H,2-6H2,(H,11,12)(H,13,14).
What are the key properties of N-(oxan-4-yl)-1,4-dihydropyrimidine-6-carboxamide?
N-(oxan-4-yl)-1,4-dihydropyrimidine-6-carboxamide has a molecular weight of 209.25 g/mol, XLogP of -0.20, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(oxan-4-yl)-1,4-dihydropyrimidine-6-carboxamide is sourced from PubChem (CID 69176014), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).