1-(4-fluorophenyl)-1-[2-(1-methoxypropan-2-ylamino)pyrimidin-4-yl]-3-propylurea

C18H24FN5O2 — CID 69113269

IUPAC1-(4-fluorophenyl)-1-[2-(1-methoxypropan-2-ylamino)pyrimidin-4-yl]-3-propylurea
SMILESCCCNC(=O)N(c1ccc(F)cc1)c1ccnc(NC(C)COC)n1
InChIInChI=1S/C18H24FN5O2/c1-4-10-21-18(25)24(15-7-5-14(19)6-8-15)16-9-11-20-17(23-16)22-13(2)12-26-3/h5-9,11,13H,4,10,12H2,1-3H3,(H,21,25)(H,20,22,23)
InChIKeyBOAGZMAUGPHLIN-UHFFFAOYSA-N
MW361.42 g/mol
LogP3.32
Rot. Bonds8

About 1-(4-fluorophenyl)-1-[2-(1-methoxypropan-2-ylamino)pyrimidin-4-yl]-3-propylurea

1-(4-fluorophenyl)-1-[2-(1-methoxypropan-2-ylamino)pyrimidin-4-yl]-3-propylurea (PubChem CID 69113269) has the molecular formula C18H24FN5O2 and a molecular weight of 361.42 g/mol. Its IUPAC name is 1-(4-fluorophenyl)-1-[2-(1-methoxypropan-2-ylamino)pyrimidin-4-yl]-3-propylurea.

Molecular Properties

Compound Name1-(4-fluorophenyl)-1-[2-(1-methoxypropan-2-ylamino)pyrimidin-4-yl]-3-propylurea
PubChem CID69113269
Molecular FormulaC18H24FN5O2
Molecular Weight361.42 g/mol
Exact Mass361.19
IUPAC Name1-(4-fluorophenyl)-1-[2-(1-methoxypropan-2-ylamino)pyrimidin-4-yl]-3-propylurea
SMILESCCCNC(=O)N(c1ccc(F)cc1)c1ccnc(NC(C)COC)n1
InChIInChI=1S/C18H24FN5O2/c1-4-10-21-18(25)24(15-7-5-14(19)6-8-15)16-9-11-20-17(23-16)22-13(2)12-26-3/h5-9,11,13H,4,10,12H2,1-3H3,(H,21,25)(H,20,22,23)
InChIKeyBOAGZMAUGPHLIN-UHFFFAOYSA-N
XLogP3.32
TPSA79.38 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500361.42
LogP ≤ 53.32
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

3-butan-2-yl-1-(4-fluorophenyl)-1-[2-[[(2S)-1-methoxypropan-2-yl]amino]pyrimidin-4-yl]urea
CID 11667933
1-(4-fluorophenyl)-1-[2-[[(2S)-1-methoxypropan-2-yl]amino]pyrimidin-4-yl]-3-propan-2-ylurea
CID 11501394
1-(4-ethoxyphenyl)-3-(2-methoxyethyl)-1-[2-(1-methoxypropan-2-ylamino)pyrimidin-4-yl]urea
CID 69118147
1-(4-fluorophenyl)-3-(4-methoxybutyl)-1-[2-(propan-2-ylamino)pyrimidin-4-yl]urea
CID 69113439
1-(4-fluorophenyl)-1-[2-(1-methoxypropan-2-ylamino)pyrimidin-4-yl]-3-[(2,3,4-trichlorophenyl)methyl]urea
CID 69210956
1-(4-fluorophenyl)-1-[2-(1-methoxypropan-2-ylamino)pyrimidin-4-yl]-3-[4-(trifluoromethyl)phenyl]urea
CID 69210075
3-(2,3-difluorophenyl)-1-(4-fluorophenyl)-1-[2-[[(2S)-1-methoxypropan-2-yl]amino]pyrimidin-4-yl]urea
CID 69212396
1-(4-methoxyphenyl)-1-[2-[[(2S)-1-methoxypropan-2-yl]amino]pyrimidin-4-yl]-3-(2-methylpropyl)urea
CID 11617980
1-[2-[(3-hydroxy-3-methylbutan-2-yl)amino]pyrimidin-4-yl]-1-(4-methoxyphenyl)-3-propylurea
CID 69273856
1-[2-[[(2S)-3-hydroxy-3-methylbutan-2-yl]amino]pyrimidin-4-yl]-1-(4-methoxyphenyl)-3-propylurea
CID 69113893
3-ethyl-1-(4-fluorophenyl)-1-[2-(propan-2-ylamino)pyrimidin-4-yl]urea
CID 69113489
1-(4-methoxyphenyl)-1-[2-[[(2S)-1-methoxypropan-2-yl]amino]pyrimidin-4-yl]-3-methylurea
CID 11551940

Frequently Asked Questions

What is the IUPAC name of 1-(4-fluorophenyl)-1-[2-(1-methoxypropan-2-ylamino)pyrimidin-4-yl]-3-propylurea?
The IUPAC name of 1-(4-fluorophenyl)-1-[2-(1-methoxypropan-2-ylamino)pyrimidin-4-yl]-3-propylurea (CID 69113269) is 1-(4-fluorophenyl)-1-[2-(1-methoxypropan-2-ylamino)pyrimidin-4-yl]-3-propylurea.
What is the SMILES notation for 1-(4-fluorophenyl)-1-[2-(1-methoxypropan-2-ylamino)pyrimidin-4-yl]-3-propylurea?
The canonical SMILES for 1-(4-fluorophenyl)-1-[2-(1-methoxypropan-2-ylamino)pyrimidin-4-yl]-3-propylurea is CCCNC(=O)N(c1ccc(F)cc1)c1ccnc(NC(C)COC)n1.
What is the InChIKey of 1-(4-fluorophenyl)-1-[2-(1-methoxypropan-2-ylamino)pyrimidin-4-yl]-3-propylurea?
The InChIKey is BOAGZMAUGPHLIN-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H24FN5O2/c1-4-10-21-18(25)24(15-7-5-14(19)6-8-15)16-9-11-20-17(23-16)22-13(2)12-26-3/h5-9,11,13H,4,10,12H2,1-3H3,(H,21,25)(H,20,22,23).
What are the key properties of 1-(4-fluorophenyl)-1-[2-(1-methoxypropan-2-ylamino)pyrimidin-4-yl]-3-propylurea?
1-(4-fluorophenyl)-1-[2-(1-methoxypropan-2-ylamino)pyrimidin-4-yl]-3-propylurea has a molecular weight of 361.42 g/mol, XLogP of 3.32, 8 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-fluorophenyl)-1-[2-(1-methoxypropan-2-ylamino)pyrimidin-4-yl]-3-propylurea is sourced from PubChem (CID 69113269), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).