1-cyclopropyl-3-[4-[2-[(3S)-3-methylmorpholin-4-yl]pyrimidin-4-yl]phenyl]urea

C19H23N5O2 — CID 53380860

IUPAC1-cyclopropyl-3-[4-[2-[(3S)-3-methylmorpholin-4-yl]pyrimidin-4-yl]phenyl]urea
SMILESC[C@H]1COCCN1c1nccc(-c2ccc(NC(=O)NC3CC3)cc2)n1
InChIInChI=1S/C19H23N5O2/c1-13-12-26-11-10-24(13)18-20-9-8-17(23-18)14-2-4-15(5-3-14)21-19(25)22-16-6-7-16/h2-5,8-9,13,16H,6-7,10-12H2,1H3,(H2,21,22,25)/t13-/m0/s1
InChIKeyROQZWBPJZHCFAU-ZDUSSCGKSA-N
MW353.43 g/mol
LogP2.65
Rot. Bonds4

About 1-cyclopropyl-3-[4-[2-[(3S)-3-methylmorpholin-4-yl]pyrimidin-4-yl]phenyl]urea

1-cyclopropyl-3-[4-[2-[(3S)-3-methylmorpholin-4-yl]pyrimidin-4-yl]phenyl]urea (PubChem CID 53380860) has the molecular formula C19H23N5O2 and a molecular weight of 353.43 g/mol. Its IUPAC name is 1-cyclopropyl-3-[4-[2-[(3S)-3-methylmorpholin-4-yl]pyrimidin-4-yl]phenyl]urea.

Molecular Properties

Compound Name1-cyclopropyl-3-[4-[2-[(3S)-3-methylmorpholin-4-yl]pyrimidin-4-yl]phenyl]urea
PubChem CID53380860
Molecular FormulaC19H23N5O2
Molecular Weight353.43 g/mol
Exact Mass353.19
IUPAC Name1-cyclopropyl-3-[4-[2-[(3S)-3-methylmorpholin-4-yl]pyrimidin-4-yl]phenyl]urea
SMILESC[C@H]1COCCN1c1nccc(-c2ccc(NC(=O)NC3CC3)cc2)n1
InChIInChI=1S/C19H23N5O2/c1-13-12-26-11-10-24(13)18-20-9-8-17(23-18)14-2-4-15(5-3-14)21-19(25)22-16-6-7-16/h2-5,8-9,13,16H,6-7,10-12H2,1H3,(H2,21,22,25)/t13-/m0/s1
InChIKeyROQZWBPJZHCFAU-ZDUSSCGKSA-N
XLogP2.65
TPSA79.38 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500353.43
LogP ≤ 52.65
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

1-cyclopropyl-3-[4-[2-[(3S)-3-methylmorpholin-4-yl]-6-(2-methylsulfanyl-3-pyridinyl)pyrimidin-4-yl]phenyl]urea
CID 67382676
1-cyclopropyl-3-[4-[2-(3-methylmorpholin-4-yl)-6-(2-methylsulfonylphenyl)pyrimidin-4-yl]phenyl]urea
CID 67382631
1-cyclopropyl-3-[4-[2-[(3R)-3-methylmorpholin-4-yl]-6,7-dihydro-5H-pyrrolo[3,4-d]pyrimidin-4-yl]phenyl]urea
CID 66559012
(3R)-4-[4-(4-fluorophenyl)pyrimidin-2-yl]-3-methylmorpholine
CID 141135548
1-cyclopropyl-3-[4-[6-cyclopropyl-2-(3-methylmorpholin-4-yl)-5,7-dihydropyrrolo[3,4-d]pyrimidin-4-yl]phenyl]urea
CID 70818813
1-cyclopropyl-3-[4-[4-(2-hydroxypropan-2-yl)-6-[(3S)-3-methylmorpholin-4-yl]pyrimidin-2-yl]phenyl]urea
CID 59380023
1-cyclobutyl-3-[4-[4-(3-methylmorpholin-4-yl)-5,6,7,8-tetrahydroquinazolin-2-yl]phenyl]urea
CID 77453133
1-cyclobutyl-3-[4-[4-[(3S)-3-methylmorpholin-4-yl]-7-pyrimidin-2-yl-6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-2-yl]phenyl]urea
CID 59239053
1-[4-[6-(2-cyanoacetyl)-2-(3-methylmorpholin-4-yl)-5,7-dihydropyrrolo[3,4-d]pyrimidin-4-yl]phenyl]-3-cyclopropylurea
CID 70818075
1-cyclopropyl-3-[4-[5,7-dimethyl-4-[(3S)-3-methylmorpholin-4-yl]-6,6-dioxo-5,7-dihydrothieno[3,4-d]pyrimidin-2-yl]phenyl]urea
CID 71548515
1-cyclopropyl-3-[4-[6,6-dihydroxy-7-methyl-4-(3-methylmorpholin-4-yl)-5,7-dihydrothieno[3,4-d]pyrimidin-2-yl]phenyl]urea
CID 121408558
1-cyclopropyl-3-[4-[6-[3-(dimethylamino)propanoyl]-2-[(3S)-3-methylmorpholin-4-yl]-5,7-dihydropyrrolo[3,4-d]pyrimidin-4-yl]phenyl]urea
CID 66559007

Frequently Asked Questions

What is the IUPAC name of 1-cyclopropyl-3-[4-[2-[(3S)-3-methylmorpholin-4-yl]pyrimidin-4-yl]phenyl]urea?
The IUPAC name of 1-cyclopropyl-3-[4-[2-[(3S)-3-methylmorpholin-4-yl]pyrimidin-4-yl]phenyl]urea (CID 53380860) is 1-cyclopropyl-3-[4-[2-[(3S)-3-methylmorpholin-4-yl]pyrimidin-4-yl]phenyl]urea.
What is the SMILES notation for 1-cyclopropyl-3-[4-[2-[(3S)-3-methylmorpholin-4-yl]pyrimidin-4-yl]phenyl]urea?
The canonical SMILES for 1-cyclopropyl-3-[4-[2-[(3S)-3-methylmorpholin-4-yl]pyrimidin-4-yl]phenyl]urea is C[C@H]1COCCN1c1nccc(-c2ccc(NC(=O)NC3CC3)cc2)n1.
What is the InChIKey of 1-cyclopropyl-3-[4-[2-[(3S)-3-methylmorpholin-4-yl]pyrimidin-4-yl]phenyl]urea?
The InChIKey is ROQZWBPJZHCFAU-ZDUSSCGKSA-N. The full InChI is InChI=1S/C19H23N5O2/c1-13-12-26-11-10-24(13)18-20-9-8-17(23-18)14-2-4-15(5-3-14)21-19(25)22-16-6-7-16/h2-5,8-9,13,16H,6-7,10-12H2,1H3,(H2,21,22,25)/t13-/m0/s1.
What are the key properties of 1-cyclopropyl-3-[4-[2-[(3S)-3-methylmorpholin-4-yl]pyrimidin-4-yl]phenyl]urea?
1-cyclopropyl-3-[4-[2-[(3S)-3-methylmorpholin-4-yl]pyrimidin-4-yl]phenyl]urea has a molecular weight of 353.43 g/mol, XLogP of 2.65, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-cyclopropyl-3-[4-[2-[(3S)-3-methylmorpholin-4-yl]pyrimidin-4-yl]phenyl]urea is sourced from PubChem (CID 53380860), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).