3-phenylmethoxy-6-(propan-2-ylamino)-1H-pyrimidine-2,4-dione

C14H17N3O3 — CID 134207888

IUPAC3-phenylmethoxy-6-(propan-2-ylamino)-1H-pyrimidine-2,4-dione
SMILESCC(C)Nc1cc(=O)n(OCc2ccccc2)c(=O)[nH]1
InChIInChI=1S/C14H17N3O3/c1-10(2)15-12-8-13(18)17(14(19)16-12)20-9-11-6-4-3-5-7-11/h3-8,10,15H,9H2,1-2H3,(H,16,19)
InChIKeyJBKUHGOSNDOTBG-UHFFFAOYSA-N
MW275.31 g/mol
LogP0.99
Rot. Bonds5

About 3-phenylmethoxy-6-(propan-2-ylamino)-1H-pyrimidine-2,4-dione

3-phenylmethoxy-6-(propan-2-ylamino)-1H-pyrimidine-2,4-dione (PubChem CID 134207888) has the molecular formula C14H17N3O3 and a molecular weight of 275.31 g/mol. Its IUPAC name is 3-phenylmethoxy-6-(propan-2-ylamino)-1H-pyrimidine-2,4-dione.

Molecular Properties

Compound Name3-phenylmethoxy-6-(propan-2-ylamino)-1H-pyrimidine-2,4-dione
PubChem CID134207888
Molecular FormulaC14H17N3O3
Molecular Weight275.31 g/mol
Exact Mass275.13
IUPAC Name3-phenylmethoxy-6-(propan-2-ylamino)-1H-pyrimidine-2,4-dione
SMILESCC(C)Nc1cc(=O)n(OCc2ccccc2)c(=O)[nH]1
InChIInChI=1S/C14H17N3O3/c1-10(2)15-12-8-13(18)17(14(19)16-12)20-9-11-6-4-3-5-7-11/h3-8,10,15H,9H2,1-2H3,(H,16,19)
InChIKeyJBKUHGOSNDOTBG-UHFFFAOYSA-N
XLogP0.99
TPSA76.12 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500275.31
LogP ≤ 50.99
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

6-(ethylamino)-3-phenylmethoxy-1H-pyrimidine-2,4-dione
CID 134207868
6-(benzylamino)-3-tert-butyl-1H-pyrimidine-2,4-dione
CID 90489804
3-phenylmethoxy-7-(trifluoromethyl)-1H-quinazoline-2,4-dione
CID 66572213
benzyl N-[(2S)-3-methyl-1-oxo-1-(propan-2-ylamino)butan-2-yl]carbamate
CID 70701209
benzyl N-[(2R)-1-iodopropan-2-yl]carbamate
CID 11631115
benzyl N-[1-(benzotriazol-2-yl)-3-methylbutyl]carbamate
CID 3517933
methyl 3-methyl-2-(phenylmethoxycarbonylamino)butanoate
CID 12675847
5-phenylmethoxy-3-propan-2-yl-1H-benzimidazol-2-one
CID 146019025
benzyl N-[(2S)-5-chloro-3,3-dihydroxy-4-oxopentan-2-yl]carbamate
CID 71773534
(3-carboxyoxyphenyl) (2S)-3-methyl-2-(phenylmethoxycarbonylamino)butanoate
CID 139931558
methyl 2-[methyl-[2-methyl-1-(phenylmethoxycarbonylamino)propyl]phosphanyl]oxypropanoate
CID 57311493
[2-methyl-1-(phenylmethoxycarbonylamino)propyl]phosphonous acid
CID 21325852

Frequently Asked Questions

What is the IUPAC name of 3-phenylmethoxy-6-(propan-2-ylamino)-1H-pyrimidine-2,4-dione?
The IUPAC name of 3-phenylmethoxy-6-(propan-2-ylamino)-1H-pyrimidine-2,4-dione (CID 134207888) is 3-phenylmethoxy-6-(propan-2-ylamino)-1H-pyrimidine-2,4-dione.
What is the SMILES notation for 3-phenylmethoxy-6-(propan-2-ylamino)-1H-pyrimidine-2,4-dione?
The canonical SMILES for 3-phenylmethoxy-6-(propan-2-ylamino)-1H-pyrimidine-2,4-dione is CC(C)Nc1cc(=O)n(OCc2ccccc2)c(=O)[nH]1.
What is the InChIKey of 3-phenylmethoxy-6-(propan-2-ylamino)-1H-pyrimidine-2,4-dione?
The InChIKey is JBKUHGOSNDOTBG-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H17N3O3/c1-10(2)15-12-8-13(18)17(14(19)16-12)20-9-11-6-4-3-5-7-11/h3-8,10,15H,9H2,1-2H3,(H,16,19).
What are the key properties of 3-phenylmethoxy-6-(propan-2-ylamino)-1H-pyrimidine-2,4-dione?
3-phenylmethoxy-6-(propan-2-ylamino)-1H-pyrimidine-2,4-dione has a molecular weight of 275.31 g/mol, XLogP of 0.99, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-phenylmethoxy-6-(propan-2-ylamino)-1H-pyrimidine-2,4-dione is sourced from PubChem (CID 134207888), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).