3-[4-[(cyclopropylamino)methyl]pyrimidin-2-yl]phenol

C14H15N3O — CID 107921995

IUPAC3-[4-[(cyclopropylamino)methyl]pyrimidin-2-yl]phenol
SMILESOc1cccc(-c2nccc(CNC3CC3)n2)c1
InChIInChI=1S/C14H15N3O/c18-13-3-1-2-10(8-13)14-15-7-6-12(17-14)9-16-11-4-5-11/h1-3,6-8,11,16,18H,4-5,9H2
InChIKeyUUYCKJVPPBSQFA-UHFFFAOYSA-N
MW241.29 g/mol
LogP2.10
Rot. Bonds4

About 3-[4-[(cyclopropylamino)methyl]pyrimidin-2-yl]phenol

3-[4-[(cyclopropylamino)methyl]pyrimidin-2-yl]phenol (PubChem CID 107921995) has the molecular formula C14H15N3O and a molecular weight of 241.29 g/mol. Its IUPAC name is 3-[4-[(cyclopropylamino)methyl]pyrimidin-2-yl]phenol.

Molecular Properties

Compound Name3-[4-[(cyclopropylamino)methyl]pyrimidin-2-yl]phenol
PubChem CID107921995
Molecular FormulaC14H15N3O
Molecular Weight241.29 g/mol
Exact Mass241.12
IUPAC Name3-[4-[(cyclopropylamino)methyl]pyrimidin-2-yl]phenol
SMILESOc1cccc(-c2nccc(CNC3CC3)n2)c1
InChIInChI=1S/C14H15N3O/c18-13-3-1-2-10(8-13)14-15-7-6-12(17-14)9-16-11-4-5-11/h1-3,6-8,11,16,18H,4-5,9H2
InChIKeyUUYCKJVPPBSQFA-UHFFFAOYSA-N
XLogP2.10
TPSA58.04 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500241.29
LogP ≤ 52.10
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

4-[4-[(cyclopropylamino)methyl]pyrimidin-2-yl]phenol
CID 136938634
N-[[2-(4-bromophenyl)pyrimidin-4-yl]methyl]cyclopropanamine
CID 62749008
N-[[2-(4-propan-2-ylphenyl)pyrimidin-4-yl]methyl]cyclopropanamine
CID 62749529
N-[[2-(3-methylimidazol-4-yl)pyrimidin-4-yl]methyl]cyclopropanamine
CID 82903364
3-[5-[(cyclopropylamino)methyl]-4-methyl-1,3-thiazol-2-yl]phenol
CID 114016134
N-[(6-methyl-2-pyrimidin-2-ylpyrimidin-4-yl)methyl]cyclopropanamine
CID 62746577
3-[(cyclobutylamino)methyl]phenol
CID 62416890
N-[(2-cyclohexylpyrimidin-4-yl)methyl]cyclopropanamine
CID 55114202
N-[[2-(oxolan-2-yl)pyrimidin-4-yl]methyl]cyclopropanamine
CID 65328671
N-[[2-(2-phenylethyl)pyrimidin-4-yl]methyl]cyclopropanamine
CID 62749177
2-ethyl-N-[(2-phenylpyrimidin-4-yl)methyl]-5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridin-6-amine
CID 56780949
N-[(2-methylpyrimidin-4-yl)methyl]cyclohexanamine
CID 60962032

Frequently Asked Questions

What is the IUPAC name of 3-[4-[(cyclopropylamino)methyl]pyrimidin-2-yl]phenol?
The IUPAC name of 3-[4-[(cyclopropylamino)methyl]pyrimidin-2-yl]phenol (CID 107921995) is 3-[4-[(cyclopropylamino)methyl]pyrimidin-2-yl]phenol.
What is the SMILES notation for 3-[4-[(cyclopropylamino)methyl]pyrimidin-2-yl]phenol?
The canonical SMILES for 3-[4-[(cyclopropylamino)methyl]pyrimidin-2-yl]phenol is Oc1cccc(-c2nccc(CNC3CC3)n2)c1.
What is the InChIKey of 3-[4-[(cyclopropylamino)methyl]pyrimidin-2-yl]phenol?
The InChIKey is UUYCKJVPPBSQFA-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H15N3O/c18-13-3-1-2-10(8-13)14-15-7-6-12(17-14)9-16-11-4-5-11/h1-3,6-8,11,16,18H,4-5,9H2.
What are the key properties of 3-[4-[(cyclopropylamino)methyl]pyrimidin-2-yl]phenol?
3-[4-[(cyclopropylamino)methyl]pyrimidin-2-yl]phenol has a molecular weight of 241.29 g/mol, XLogP of 2.10, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[4-[(cyclopropylamino)methyl]pyrimidin-2-yl]phenol is sourced from PubChem (CID 107921995), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).