4-propan-2-yl-2-(2-propoxyanilino)-1H-pyrimidin-6-one

C16H21N3O2 — CID 135899964

IUPAC4-propan-2-yl-2-(2-propoxyanilino)-1H-pyrimidin-6-one
SMILESCCCOc1ccccc1Nc1nc(C(C)C)cc(=O)[nH]1
InChIInChI=1S/C16H21N3O2/c1-4-9-21-14-8-6-5-7-12(14)17-16-18-13(11(2)3)10-15(20)19-16/h5-8,10-11H,4,9H2,1-3H3,(H2,17,18,19,20)
InChIKeyWMBJCVMKWVDIHI-UHFFFAOYSA-N
MW287.36 g/mol
LogP3.43
Rot. Bonds6

About 4-propan-2-yl-2-(2-propoxyanilino)-1H-pyrimidin-6-one

4-propan-2-yl-2-(2-propoxyanilino)-1H-pyrimidin-6-one (PubChem CID 135899964) has the molecular formula C16H21N3O2 and a molecular weight of 287.36 g/mol. Its IUPAC name is 4-propan-2-yl-2-(2-propoxyanilino)-1H-pyrimidin-6-one.

Molecular Properties

Compound Name4-propan-2-yl-2-(2-propoxyanilino)-1H-pyrimidin-6-one
PubChem CID135899964
Molecular FormulaC16H21N3O2
Molecular Weight287.36 g/mol
Exact Mass287.16
IUPAC Name4-propan-2-yl-2-(2-propoxyanilino)-1H-pyrimidin-6-one
SMILESCCCOc1ccccc1Nc1nc(C(C)C)cc(=O)[nH]1
InChIInChI=1S/C16H21N3O2/c1-4-9-21-14-8-6-5-7-12(14)17-16-18-13(11(2)3)10-15(20)19-16/h5-8,10-11H,4,9H2,1-3H3,(H2,17,18,19,20)
InChIKeyWMBJCVMKWVDIHI-UHFFFAOYSA-N
XLogP3.43
TPSA67.01 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500287.36
LogP ≤ 53.43
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

2-[(2Z)-2-[(3-methoxy-4-propoxyphenyl)methylidene]hydrazinyl]-4-propan-2-yl-1H-pyrimidin-6-one
CID 136788020
2-(4-chloro-2-methylanilino)-4-propan-2-yl-1H-pyrimidin-6-one
CID 136779020
2-(butylamino)-4-propan-2-yl-1H-pyrimidin-6-one
CID 136779799
5-(2-propoxyanilino)-2H-1,2,4-triazin-3-one
CID 7541113
4-ethyl-2-[(2Z)-2-[(2-propoxyphenyl)methylidene]hydrazinyl]-1H-pyrimidin-6-one
CID 136787707
6-methyl-N-(2-propoxyphenyl)-7H-pyrrolo[2,3-d]pyrimidin-4-amine
CID 110430525
4-propan-2-yl-2-(3-propan-2-yloxypropylamino)-1H-pyrimidin-6-one
CID 136779988
N-(2-methylpropyl)-2-propoxyaniline
CID 43682255
5-methyl-2-N-(2-propoxyphenyl)pyridine-2,3-diamine
CID 82059608
5-(2-propoxyanilino)-2H-1,2,4-triazine-3-thione
CID 23412165
2-[(4-methylphenyl)methylamino]-4-propan-2-yl-1H-pyrimidin-6-one
CID 136779642
4-amino-2-(2-amino-3-propoxyphenyl)sulfanyl-1H-pyrimidin-6-one
CID 136858475

Frequently Asked Questions

What is the IUPAC name of 4-propan-2-yl-2-(2-propoxyanilino)-1H-pyrimidin-6-one?
The IUPAC name of 4-propan-2-yl-2-(2-propoxyanilino)-1H-pyrimidin-6-one (CID 135899964) is 4-propan-2-yl-2-(2-propoxyanilino)-1H-pyrimidin-6-one.
What is the SMILES notation for 4-propan-2-yl-2-(2-propoxyanilino)-1H-pyrimidin-6-one?
The canonical SMILES for 4-propan-2-yl-2-(2-propoxyanilino)-1H-pyrimidin-6-one is CCCOc1ccccc1Nc1nc(C(C)C)cc(=O)[nH]1.
What is the InChIKey of 4-propan-2-yl-2-(2-propoxyanilino)-1H-pyrimidin-6-one?
The InChIKey is WMBJCVMKWVDIHI-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H21N3O2/c1-4-9-21-14-8-6-5-7-12(14)17-16-18-13(11(2)3)10-15(20)19-16/h5-8,10-11H,4,9H2,1-3H3,(H2,17,18,19,20).
What are the key properties of 4-propan-2-yl-2-(2-propoxyanilino)-1H-pyrimidin-6-one?
4-propan-2-yl-2-(2-propoxyanilino)-1H-pyrimidin-6-one has a molecular weight of 287.36 g/mol, XLogP of 3.43, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-propan-2-yl-2-(2-propoxyanilino)-1H-pyrimidin-6-one is sourced from PubChem (CID 135899964), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).