1-[3-(2-aminopyrimidin-5-yl)phenyl]-3-(oxolan-2-ylmethyl)urea

C16H19N5O2 — CID 70921160

IUPAC1-[3-(2-aminopyrimidin-5-yl)phenyl]-3-(oxolan-2-ylmethyl)urea
SMILESNc1ncc(-c2cccc(NC(=O)NCC3CCCO3)c2)cn1
InChIInChI=1S/C16H19N5O2/c17-15-18-8-12(9-19-15)11-3-1-4-13(7-11)21-16(22)20-10-14-5-2-6-23-14/h1,3-4,7-9,14H,2,5-6,10H2,(H2,17,18,19)(H2,20,21,22)
InChIKeyWAOTVQFCBJYLFH-UHFFFAOYSA-N
MW313.36 g/mol
LogP2.03
Rot. Bonds4

About 1-[3-(2-aminopyrimidin-5-yl)phenyl]-3-(oxolan-2-ylmethyl)urea

1-[3-(2-aminopyrimidin-5-yl)phenyl]-3-(oxolan-2-ylmethyl)urea (PubChem CID 70921160) has the molecular formula C16H19N5O2 and a molecular weight of 313.36 g/mol. Its IUPAC name is 1-[3-(2-aminopyrimidin-5-yl)phenyl]-3-(oxolan-2-ylmethyl)urea.

Molecular Properties

Compound Name1-[3-(2-aminopyrimidin-5-yl)phenyl]-3-(oxolan-2-ylmethyl)urea
PubChem CID70921160
Molecular FormulaC16H19N5O2
Molecular Weight313.36 g/mol
Exact Mass313.15
IUPAC Name1-[3-(2-aminopyrimidin-5-yl)phenyl]-3-(oxolan-2-ylmethyl)urea
SMILESNc1ncc(-c2cccc(NC(=O)NCC3CCCO3)c2)cn1
InChIInChI=1S/C16H19N5O2/c17-15-18-8-12(9-19-15)11-3-1-4-13(7-11)21-16(22)20-10-14-5-2-6-23-14/h1,3-4,7-9,14H,2,5-6,10H2,(H2,17,18,19)(H2,20,21,22)
InChIKeyWAOTVQFCBJYLFH-UHFFFAOYSA-N
XLogP2.03
TPSA102.16 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500313.36
LogP ≤ 52.03
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Related Compounds

1-(oxolan-2-ylmethyl)-3-[3-(5-phenyl-1,3,4-oxadiazol-2-yl)phenyl]urea
CID 20974342
1-[3-(1H-imidazol-5-yl)phenyl]-3-(oxolan-2-ylmethyl)urea
CID 118764097
1-(oxolan-2-ylmethyl)-3-(3-piperidin-1-ylphenyl)urea
CID 60572820
3-[3-(oxolan-2-ylmethylcarbamoylamino)phenyl]propanoic acid
CID 115340590
1-(oxolan-2-ylmethyl)-3-quinolin-3-ylurea
CID 175700632
1-[3-(2-methylsulfonylethoxy)phenyl]-3-[[(2R)-oxolan-2-yl]methyl]urea
CID 95299403
1-(3,5-dichlorophenyl)-3-(oxolan-2-ylmethyl)urea
CID 6466967
1-[3-(difluoromethylsulfonyl)phenyl]-3-[[(2S)-oxolan-2-yl]methyl]urea
CID 95185510
1-[3-(1,1-dioxo-1,2-thiazolidin-2-yl)phenyl]-3-[[(2S)-oxolan-2-yl]methyl]urea
CID 94686442
3-fluoro-N-[4-(oxolan-2-ylmethylcarbamoylamino)phenyl]benzamide
CID 75800008
1-[3-[1-(ethylamino)ethyl]phenyl]-3-(oxolan-2-ylmethyl)urea
CID 61341839
1-(2,3-dihydro-1,4-benzodioxin-6-yl)-3-[[(2R)-oxolan-2-yl]methyl]urea
CID 27474064

Frequently Asked Questions

What is the IUPAC name of 1-[3-(2-aminopyrimidin-5-yl)phenyl]-3-(oxolan-2-ylmethyl)urea?
The IUPAC name of 1-[3-(2-aminopyrimidin-5-yl)phenyl]-3-(oxolan-2-ylmethyl)urea (CID 70921160) is 1-[3-(2-aminopyrimidin-5-yl)phenyl]-3-(oxolan-2-ylmethyl)urea.
What is the SMILES notation for 1-[3-(2-aminopyrimidin-5-yl)phenyl]-3-(oxolan-2-ylmethyl)urea?
The canonical SMILES for 1-[3-(2-aminopyrimidin-5-yl)phenyl]-3-(oxolan-2-ylmethyl)urea is Nc1ncc(-c2cccc(NC(=O)NCC3CCCO3)c2)cn1.
What is the InChIKey of 1-[3-(2-aminopyrimidin-5-yl)phenyl]-3-(oxolan-2-ylmethyl)urea?
The InChIKey is WAOTVQFCBJYLFH-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H19N5O2/c17-15-18-8-12(9-19-15)11-3-1-4-13(7-11)21-16(22)20-10-14-5-2-6-23-14/h1,3-4,7-9,14H,2,5-6,10H2,(H2,17,18,19)(H2,20,21,22).
What are the key properties of 1-[3-(2-aminopyrimidin-5-yl)phenyl]-3-(oxolan-2-ylmethyl)urea?
1-[3-(2-aminopyrimidin-5-yl)phenyl]-3-(oxolan-2-ylmethyl)urea has a molecular weight of 313.36 g/mol, XLogP of 2.03, 4 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[3-(2-aminopyrimidin-5-yl)phenyl]-3-(oxolan-2-ylmethyl)urea is sourced from PubChem (CID 70921160), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).