1-[2-(dimethylamino)pyrimidin-5-yl]-3-[1-(3-fluorophenoxy)propan-2-yl]urea

C16H20FN5O2 — CID 167746140

IUPAC1-[2-(dimethylamino)pyrimidin-5-yl]-3-[1-(3-fluorophenoxy)propan-2-yl]urea
SMILESCC(COc1cccc(F)c1)NC(=O)Nc1cnc(N(C)C)nc1
InChIInChI=1S/C16H20FN5O2/c1-11(10-24-14-6-4-5-12(17)7-14)20-16(23)21-13-8-18-15(19-9-13)22(2)3/h4-9,11H,10H2,1-3H3,(H2,20,21,23)
InChIKeyFHNUSIHWXQEPSH-UHFFFAOYSA-N
MW333.37 g/mol
LogP2.27
Rot. Bonds6

About 1-[2-(dimethylamino)pyrimidin-5-yl]-3-[1-(3-fluorophenoxy)propan-2-yl]urea

1-[2-(dimethylamino)pyrimidin-5-yl]-3-[1-(3-fluorophenoxy)propan-2-yl]urea (PubChem CID 167746140) has the molecular formula C16H20FN5O2 and a molecular weight of 333.37 g/mol. Its IUPAC name is 1-[2-(dimethylamino)pyrimidin-5-yl]-3-[1-(3-fluorophenoxy)propan-2-yl]urea.

Molecular Properties

Compound Name1-[2-(dimethylamino)pyrimidin-5-yl]-3-[1-(3-fluorophenoxy)propan-2-yl]urea
PubChem CID167746140
Molecular FormulaC16H20FN5O2
Molecular Weight333.37 g/mol
Exact Mass333.16
IUPAC Name1-[2-(dimethylamino)pyrimidin-5-yl]-3-[1-(3-fluorophenoxy)propan-2-yl]urea
SMILESCC(COc1cccc(F)c1)NC(=O)Nc1cnc(N(C)C)nc1
InChIInChI=1S/C16H20FN5O2/c1-11(10-24-14-6-4-5-12(17)7-14)20-16(23)21-13-8-18-15(19-9-13)22(2)3/h4-9,11H,10H2,1-3H3,(H2,20,21,23)
InChIKeyFHNUSIHWXQEPSH-UHFFFAOYSA-N
XLogP2.27
TPSA79.38 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500333.37
LogP ≤ 52.27
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

1-(3-methoxyphenyl)-3-(1-phenoxypropan-2-yl)urea
CID 133204314
(2R)-2-cyano-N-[(2S)-1-(3-fluorophenoxy)propan-2-yl]-3,3-dimethylbutanamide
CID 100971737
1-(3-fluorophenoxy)-N-propan-2-ylpropan-2-amine
CID 115905482
1-(3-fluorophenoxy)propan-2-ylhydrazine
CID 82280988
1-[(R)-cyclopropyl(1,3-thiazol-2-yl)methyl]-3-[(2R)-1-(3-fluorophenoxy)propan-2-yl]urea
CID 97218961
1-[2-(dimethylamino)pyrimidin-5-yl]-3-[(2R)-1-(5-methyl-1H-pyrazol-3-yl)propan-2-yl]urea
CID 99581238
N-[(2S)-1-(3-fluorophenoxy)propan-2-yl]-3-pyrazol-1-ylpropanamide
CID 100662600
1,3-bis[3-(2-methylpropoxy)phenyl]urea
CID 17170442
(2S)-N-[2-(dimethylamino)pyrimidin-5-yl]-2-phenoxypropanamide
CID 95985264
propan-2-yl N-[1-[1-(3-fluorophenoxy)propan-2-ylamino]-3-methyl-1-oxopentan-2-yl]carbamate
CID 141411377
1-[3-[(3-fluorophenoxy)methyl]phenyl]-3-(4-hydroxy-3-methylbutan-2-yl)urea
CID 111453032
(2S)-N-[(2S)-1-(3-fluorophenoxy)propan-2-yl]piperidine-2-carboxamide
CID 97235197

Frequently Asked Questions

What is the IUPAC name of 1-[2-(dimethylamino)pyrimidin-5-yl]-3-[1-(3-fluorophenoxy)propan-2-yl]urea?
The IUPAC name of 1-[2-(dimethylamino)pyrimidin-5-yl]-3-[1-(3-fluorophenoxy)propan-2-yl]urea (CID 167746140) is 1-[2-(dimethylamino)pyrimidin-5-yl]-3-[1-(3-fluorophenoxy)propan-2-yl]urea.
What is the SMILES notation for 1-[2-(dimethylamino)pyrimidin-5-yl]-3-[1-(3-fluorophenoxy)propan-2-yl]urea?
The canonical SMILES for 1-[2-(dimethylamino)pyrimidin-5-yl]-3-[1-(3-fluorophenoxy)propan-2-yl]urea is CC(COc1cccc(F)c1)NC(=O)Nc1cnc(N(C)C)nc1.
What is the InChIKey of 1-[2-(dimethylamino)pyrimidin-5-yl]-3-[1-(3-fluorophenoxy)propan-2-yl]urea?
The InChIKey is FHNUSIHWXQEPSH-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H20FN5O2/c1-11(10-24-14-6-4-5-12(17)7-14)20-16(23)21-13-8-18-15(19-9-13)22(2)3/h4-9,11H,10H2,1-3H3,(H2,20,21,23).
What are the key properties of 1-[2-(dimethylamino)pyrimidin-5-yl]-3-[1-(3-fluorophenoxy)propan-2-yl]urea?
1-[2-(dimethylamino)pyrimidin-5-yl]-3-[1-(3-fluorophenoxy)propan-2-yl]urea has a molecular weight of 333.37 g/mol, XLogP of 2.27, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-(dimethylamino)pyrimidin-5-yl]-3-[1-(3-fluorophenoxy)propan-2-yl]urea is sourced from PubChem (CID 167746140), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).