1-[(2-hydroxy-1-methylcyclohexyl)methyl]-3-(pyrazolo[1,5-a]pyrimidin-7-ylmethyl)urea

C16H23N5O2 — CID 110013126

IUPAC1-[(2-hydroxy-1-methylcyclohexyl)methyl]-3-(pyrazolo[1,5-a]pyrimidin-7-ylmethyl)urea
SMILESCC1(CNC(=O)NCc2ccnc3ccnn23)CCCCC1O
InChIInChI=1S/C16H23N5O2/c1-16(7-3-2-4-13(16)22)11-19-15(23)18-10-12-5-8-17-14-6-9-20-21(12)14/h5-6,8-9,13,22H,2-4,7,10-11H2,1H3,(H2,18,19,23)
InChIKeyMICXNALDNSJILX-UHFFFAOYSA-N
MW317.39 g/mol
LogP1.47
Rot. Bonds4

About 1-[(2-hydroxy-1-methylcyclohexyl)methyl]-3-(pyrazolo[1,5-a]pyrimidin-7-ylmethyl)urea

1-[(2-hydroxy-1-methylcyclohexyl)methyl]-3-(pyrazolo[1,5-a]pyrimidin-7-ylmethyl)urea (PubChem CID 110013126) has the molecular formula C16H23N5O2 and a molecular weight of 317.39 g/mol. Its IUPAC name is 1-[(2-hydroxy-1-methylcyclohexyl)methyl]-3-(pyrazolo[1,5-a]pyrimidin-7-ylmethyl)urea.

Molecular Properties

Compound Name1-[(2-hydroxy-1-methylcyclohexyl)methyl]-3-(pyrazolo[1,5-a]pyrimidin-7-ylmethyl)urea
PubChem CID110013126
Molecular FormulaC16H23N5O2
Molecular Weight317.39 g/mol
Exact Mass317.19
IUPAC Name1-[(2-hydroxy-1-methylcyclohexyl)methyl]-3-(pyrazolo[1,5-a]pyrimidin-7-ylmethyl)urea
SMILESCC1(CNC(=O)NCc2ccnc3ccnn23)CCCCC1O
InChIInChI=1S/C16H23N5O2/c1-16(7-3-2-4-13(16)22)11-19-15(23)18-10-12-5-8-17-14-6-9-20-21(12)14/h5-6,8-9,13,22H,2-4,7,10-11H2,1H3,(H2,18,19,23)
InChIKeyMICXNALDNSJILX-UHFFFAOYSA-N
XLogP1.47
TPSA91.55 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500317.39
LogP ≤ 51.47
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Related Compounds

1-[(2-hydroxycyclohexyl)methyl]-3-(pyrazolo[1,5-a]pyrimidin-7-ylmethyl)urea
CID 110013112
1-[(1-hydroxy-2,3-dihydroinden-1-yl)methyl]-3-(pyrazolo[1,5-a]pyrimidin-7-ylmethyl)urea
CID 110013076
1-[(2-hydroxy-1-methylcyclohexyl)methyl]-3-(1-pyridin-2-ylpiperidin-4-yl)urea
CID 111722313
1-[(2-hydroxy-1-methylcyclohexyl)methyl]-3-[(4-phenyl-1,2,4-triazol-3-yl)methyl]urea
CID 111722316
1-(2-cyclopropylethyl)-3-[(2-hydroxy-1-methylcyclohexyl)methyl]urea
CID 111722478
N-[[(1R,2S)-2-hydroxy-1-methylcyclohexyl]methyl]-2-indazol-1-ylacetamide
CID 99775313
1-[[2-[(dimethylamino)methyl]-1,3-oxazol-4-yl]methyl]-3-[(2-hydroxy-1-methylcyclohexyl)methyl]urea
CID 138047569
1-(2-hydroxy-2-thiophen-3-ylpropyl)-3-(pyrazolo[1,5-a]pyrimidin-7-ylmethyl)urea
CID 110007261
1-(1-hydroxy-3-methylpentan-3-yl)-3-(pyrazolo[1,5-a]pyrimidin-7-ylmethyl)urea
CID 110013105
1-cyclopropyl-N-(pyrazolo[1,5-a]pyrimidin-7-ylmethyl)ethanamine
CID 115976238
(3R,4S)-N-[(2-hydroxy-1-methylcyclohexyl)methyl]-4-(1-methylpyrazol-4-yl)pyrrolidine-3-carboxamide
CID 120934837
1-(2-hydroxy-2-methylpropyl)-1-methyl-3-(pyrazolo[1,5-a]pyrimidin-7-ylmethyl)urea
CID 110013074

Frequently Asked Questions

What is the IUPAC name of 1-[(2-hydroxy-1-methylcyclohexyl)methyl]-3-(pyrazolo[1,5-a]pyrimidin-7-ylmethyl)urea?
The IUPAC name of 1-[(2-hydroxy-1-methylcyclohexyl)methyl]-3-(pyrazolo[1,5-a]pyrimidin-7-ylmethyl)urea (CID 110013126) is 1-[(2-hydroxy-1-methylcyclohexyl)methyl]-3-(pyrazolo[1,5-a]pyrimidin-7-ylmethyl)urea.
What is the SMILES notation for 1-[(2-hydroxy-1-methylcyclohexyl)methyl]-3-(pyrazolo[1,5-a]pyrimidin-7-ylmethyl)urea?
The canonical SMILES for 1-[(2-hydroxy-1-methylcyclohexyl)methyl]-3-(pyrazolo[1,5-a]pyrimidin-7-ylmethyl)urea is CC1(CNC(=O)NCc2ccnc3ccnn23)CCCCC1O.
What is the InChIKey of 1-[(2-hydroxy-1-methylcyclohexyl)methyl]-3-(pyrazolo[1,5-a]pyrimidin-7-ylmethyl)urea?
The InChIKey is MICXNALDNSJILX-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H23N5O2/c1-16(7-3-2-4-13(16)22)11-19-15(23)18-10-12-5-8-17-14-6-9-20-21(12)14/h5-6,8-9,13,22H,2-4,7,10-11H2,1H3,(H2,18,19,23).
What are the key properties of 1-[(2-hydroxy-1-methylcyclohexyl)methyl]-3-(pyrazolo[1,5-a]pyrimidin-7-ylmethyl)urea?
1-[(2-hydroxy-1-methylcyclohexyl)methyl]-3-(pyrazolo[1,5-a]pyrimidin-7-ylmethyl)urea has a molecular weight of 317.39 g/mol, XLogP of 1.47, 4 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(2-hydroxy-1-methylcyclohexyl)methyl]-3-(pyrazolo[1,5-a]pyrimidin-7-ylmethyl)urea is sourced from PubChem (CID 110013126), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).