1-[4-[4-(3,6-dihydro-2H-pyran-4-yl)pyrimidin-2-yl]phenyl]-3-ethylurea

C18H20N4O2 — CID 155559468

IUPAC1-[4-[4-(3,6-dihydro-2H-pyran-4-yl)pyrimidin-2-yl]phenyl]-3-ethylurea
SMILESCCNC(=O)Nc1ccc(-c2nccc(C3=CCOCC3)n2)cc1
InChIInChI=1S/C18H20N4O2/c1-2-19-18(23)21-15-5-3-14(4-6-15)17-20-10-7-16(22-17)13-8-11-24-12-9-13/h3-8,10H,2,9,11-12H2,1H3,(H2,19,21,23)
InChIKeyDDOFYTCIAAOFGR-UHFFFAOYSA-N
MW324.38 g/mol
LogP3.09
Rot. Bonds4

About 1-[4-[4-(3,6-dihydro-2H-pyran-4-yl)pyrimidin-2-yl]phenyl]-3-ethylurea

1-[4-[4-(3,6-dihydro-2H-pyran-4-yl)pyrimidin-2-yl]phenyl]-3-ethylurea (PubChem CID 155559468) has the molecular formula C18H20N4O2 and a molecular weight of 324.38 g/mol. Its IUPAC name is 1-[4-[4-(3,6-dihydro-2H-pyran-4-yl)pyrimidin-2-yl]phenyl]-3-ethylurea.

Molecular Properties

Compound Name1-[4-[4-(3,6-dihydro-2H-pyran-4-yl)pyrimidin-2-yl]phenyl]-3-ethylurea
PubChem CID155559468
Molecular FormulaC18H20N4O2
Molecular Weight324.38 g/mol
Exact Mass324.16
IUPAC Name1-[4-[4-(3,6-dihydro-2H-pyran-4-yl)pyrimidin-2-yl]phenyl]-3-ethylurea
SMILESCCNC(=O)Nc1ccc(-c2nccc(C3=CCOCC3)n2)cc1
InChIInChI=1S/C18H20N4O2/c1-2-19-18(23)21-15-5-3-14(4-6-15)17-20-10-7-16(22-17)13-8-11-24-12-9-13/h3-8,10H,2,9,11-12H2,1H3,(H2,19,21,23)
InChIKeyDDOFYTCIAAOFGR-UHFFFAOYSA-N
XLogP3.09
TPSA76.14 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500324.38
LogP ≤ 53.09
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

1-(4-{2,4-Diamino-6-[(benzyloxy)methyl]pyrimidin-5-yl}phenyl)-3-propan-2-ylurea
CID 11154001
1-Benzyl-4-[2-(oxan-4-ylamino)pyrimidin-4-yl]pyridin-2-one
CID 89795319
1-Methyl-3-[3-(2-methylpyrimidin-4-yl)phenyl]urea
CID 2819605
(16E)-19-methyl-14-oxa-5,7,19,27-tetrazatetracyclo[19.3.1.12,6.18,12]heptacosa-1(24),2(27),3,5,8,10,12(26),16,21(25),22-decaene
CID 16739949
(16E)-14,19-dioxa-5,7,23,27-tetrazatetracyclo[19.3.1.12,6.18,12]heptacosa-1(24),2(27),3,5,8,10,12(26),16,21(25),22-decaene
CID 16750331
1-Ethyl-3-[4-(4-morpholin-4-ylpyrimidin-2-yl)phenyl]urea
CID 49764911
1-Ethyl-3-(4-(4-morpholino-5,7-dihydrofuro[3,4-d]pyrimidin-2-yl)phenyl)urea
CID 53236132
1-ethyl-3-[4-[4-[(3S)-3-methylmorpholin-4-yl]pyrimidin-2-yl]phenyl]urea
CID 53380858
1-[4-(2-Aminopyrimidin-4-yl)phenyl]-3-[(3-methoxyphenyl)methyl]urea
CID 68519300
n-{4-[2-(Phenylamino)pyrimidin-4-yl]phenyl}acetamide
CID 69023801
1-[4-Methyl-3-[(4-pyridin-3-ylpyrimidin-2-yl)amino]phenyl]-3-(3-morpholin-4-ylpropyl)urea
CID 44395815
1-ethyl-3-[4-[4-[(1S,6R)-3-oxabicyclo[4.1.0]heptan-6-yl]pyrimidin-2-yl]phenyl]urea
CID 155517424

Frequently Asked Questions

What is the IUPAC name of 1-[4-[4-(3,6-dihydro-2H-pyran-4-yl)pyrimidin-2-yl]phenyl]-3-ethylurea?
The IUPAC name of 1-[4-[4-(3,6-dihydro-2H-pyran-4-yl)pyrimidin-2-yl]phenyl]-3-ethylurea (CID 155559468) is 1-[4-[4-(3,6-dihydro-2H-pyran-4-yl)pyrimidin-2-yl]phenyl]-3-ethylurea.
What is the SMILES notation for 1-[4-[4-(3,6-dihydro-2H-pyran-4-yl)pyrimidin-2-yl]phenyl]-3-ethylurea?
The canonical SMILES for 1-[4-[4-(3,6-dihydro-2H-pyran-4-yl)pyrimidin-2-yl]phenyl]-3-ethylurea is CCNC(=O)Nc1ccc(-c2nccc(C3=CCOCC3)n2)cc1.
What is the InChIKey of 1-[4-[4-(3,6-dihydro-2H-pyran-4-yl)pyrimidin-2-yl]phenyl]-3-ethylurea?
The InChIKey is DDOFYTCIAAOFGR-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H20N4O2/c1-2-19-18(23)21-15-5-3-14(4-6-15)17-20-10-7-16(22-17)13-8-11-24-12-9-13/h3-8,10H,2,9,11-12H2,1H3,(H2,19,21,23).
What are the key properties of 1-[4-[4-(3,6-dihydro-2H-pyran-4-yl)pyrimidin-2-yl]phenyl]-3-ethylurea?
1-[4-[4-(3,6-dihydro-2H-pyran-4-yl)pyrimidin-2-yl]phenyl]-3-ethylurea has a molecular weight of 324.38 g/mol, XLogP of 3.09, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-[4-(3,6-dihydro-2H-pyran-4-yl)pyrimidin-2-yl]phenyl]-3-ethylurea is sourced from PubChem (CID 155559468), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).