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

5-fluoro-2-({[(3M)-3-(pyrimidin-4-yl)pyridin-2-yl]amino}methyl)phenol
CID 169452183
3-(1H-imidazol-4-yl)phenol
CID 24971332
Quinazolin-6-ol
CID 589643
3-{5H-pyrrolo[2,3-b]pyrazin-6-yl}phenol
CID 6538769
4-[4-(4-Fluorophenyl)-2-pyrimidinyl]benzenol
CID 1479911
3-(2-Morpholinopyrimidin-4-yl)phenol
CID 16049526
3-[[3-(6-Amino-2-methyl-4-pyrimidinyl)-2-pyridinyl]amino]phenol
CID 49785253
3-(2-Morpholino-6-(pyridin-2-ylmethylamino)pyrimidin-4-yl)phenol
CID 53325515
2-((4-(Cyclopropylamino)-5-(trifluoromethyl)pyrimidin-2-yl)amino)phenol
CID 118905518
2-(Pyridin-2-ylaminomethyl)-phenol
CID 950738
(6Z)-6-[4-(3-aminopropylamino)-6-methyl-1H-pyrimidin-2-ylidene]cyclohexa-2,4-dien-1-one
CID 659579
2-(4-(Cyclohexylamino)-6-methylpyrimidin-2-yl)phenol
CID 921204

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).