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

C14H15N3O — CID 136938634

IUPAC4-[4-[(cyclopropylamino)methyl]pyrimidin-2-yl]phenol
SMILESOc1ccc(-c2nccc(CNC3CC3)n2)cc1
InChIInChI=1S/C14H15N3O/c18-13-5-1-10(2-6-13)14-15-8-7-12(17-14)9-16-11-3-4-11/h1-2,5-8,11,16,18H,3-4,9H2
InChIKeyNNABKXCFSSYEBG-UHFFFAOYSA-N
MW241.29 g/mol
LogP2.10
Rot. Bonds4

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

4-[4-[(cyclopropylamino)methyl]pyrimidin-2-yl]phenol (PubChem CID 136938634) has the molecular formula C14H15N3O and a molecular weight of 241.29 g/mol. Its IUPAC name is 4-[4-[(cyclopropylamino)methyl]pyrimidin-2-yl]phenol.

Molecular Properties

Compound Name4-[4-[(cyclopropylamino)methyl]pyrimidin-2-yl]phenol
PubChem CID136938634
Molecular FormulaC14H15N3O
Molecular Weight241.29 g/mol
Exact Mass241.12
IUPAC Name4-[4-[(cyclopropylamino)methyl]pyrimidin-2-yl]phenol
SMILESOc1ccc(-c2nccc(CNC3CC3)n2)cc1
InChIInChI=1S/C14H15N3O/c18-13-5-1-10(2-6-13)14-15-8-7-12(17-14)9-16-11-3-4-11/h1-2,5-8,11,16,18H,3-4,9H2
InChIKeyNNABKXCFSSYEBG-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

N-[[2-(4-bromophenyl)pyrimidin-4-yl]methyl]cyclopropanamine
CID 62749008
3-[4-[(cyclopropylamino)methyl]pyrimidin-2-yl]phenol
CID 107921995
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
N-[(2-cyclohexylpyrimidin-4-yl)methyl]cyclopropanamine
CID 55114202
N-[[2-(oxolan-2-yl)pyrimidin-4-yl]methyl]cyclopropanamine
CID 65328671
N-[(2-methylpyrimidin-4-yl)methyl]cyclohexanamine
CID 60962032
N-[[2-(propoxymethyl)pyrimidin-4-yl]methyl]cyclopropanamine
CID 62749345
N-[[2-(2-phenylethyl)pyrimidin-4-yl]methyl]cyclopropanamine
CID 62749177
N-[[2-(trifluoromethyl)pyrimidin-4-yl]methyl]cyclobutanamine
CID 141342009
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
4-[(cyclopentylamino)methyl]phenol
CID 3873791

Frequently Asked Questions

What is the IUPAC name of 4-[4-[(cyclopropylamino)methyl]pyrimidin-2-yl]phenol?
The IUPAC name of 4-[4-[(cyclopropylamino)methyl]pyrimidin-2-yl]phenol (CID 136938634) is 4-[4-[(cyclopropylamino)methyl]pyrimidin-2-yl]phenol.
What is the SMILES notation for 4-[4-[(cyclopropylamino)methyl]pyrimidin-2-yl]phenol?
The canonical SMILES for 4-[4-[(cyclopropylamino)methyl]pyrimidin-2-yl]phenol is Oc1ccc(-c2nccc(CNC3CC3)n2)cc1.
What is the InChIKey of 4-[4-[(cyclopropylamino)methyl]pyrimidin-2-yl]phenol?
The InChIKey is NNABKXCFSSYEBG-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H15N3O/c18-13-5-1-10(2-6-13)14-15-8-7-12(17-14)9-16-11-3-4-11/h1-2,5-8,11,16,18H,3-4,9H2.
What are the key properties of 4-[4-[(cyclopropylamino)methyl]pyrimidin-2-yl]phenol?
4-[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 4-[4-[(cyclopropylamino)methyl]pyrimidin-2-yl]phenol is sourced from PubChem (CID 136938634), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).