(2-anilinopyrimidin-5-yl)methanol;methane

C12H15N3O — CID 161338476

IUPAC(2-anilinopyrimidin-5-yl)methanol;methane
SMILESC.OCc1cnc(Nc2ccccc2)nc1
InChIInChI=1S/C11H11N3O.CH4/c15-8-9-6-12-11(13-7-9)14-10-4-2-1-3-5-10;/h1-7,15H,8H2,(H,12,13,14);1H4
InChIKeyVMIVXDPKKKXKNY-UHFFFAOYSA-N
MW217.27 g/mol
LogP2.35
Rot. Bonds3

About (2-anilinopyrimidin-5-yl)methanol;methane

(2-anilinopyrimidin-5-yl)methanol;methane (PubChem CID 161338476) has the molecular formula C12H15N3O and a molecular weight of 217.27 g/mol. Its IUPAC name is (2-anilinopyrimidin-5-yl)methanol;methane.

Molecular Properties

Compound Name(2-anilinopyrimidin-5-yl)methanol;methane
PubChem CID161338476
Molecular FormulaC12H15N3O
Molecular Weight217.27 g/mol
Exact Mass217.12
IUPAC Name(2-anilinopyrimidin-5-yl)methanol;methane
SMILESC.OCc1cnc(Nc2ccccc2)nc1
InChIInChI=1S/C11H11N3O.CH4/c15-8-9-6-12-11(13-7-9)14-10-4-2-1-3-5-10;/h1-7,15H,8H2,(H,12,13,14);1H4
InChIKeyVMIVXDPKKKXKNY-UHFFFAOYSA-N
XLogP2.35
TPSA58.04 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500217.27
LogP ≤ 52.35
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

(5-anilino-3-pyridinyl)methanol;hydrochloride
CID 69395615
2-anilino-N-(2-methylpropyl)pyrimidine-5-carboxamide
CID 109248518
(4-amino-6-anilino-1,3,5-triazin-2-yl)methanol
CID 117058513
(2-anilinopyrimidin-5-yl)-[4-hydroxy-4-(hydroxymethyl)piperidin-1-yl]methanone
CID 56740872
5-fluoro-N-phenyl-4-(2-phenylethyl)pyrimidin-2-amine
CID 66764541
3-N-(5-ethylpyrimidin-2-yl)-1-N-methylbenzene-1,3-diamine
CID 116974888
2-anilino-N-[(2-fluorophenyl)methyl]pyrimidine-5-carboxamide
CID 109256919
(E)-3-(2-anilinopyrimidin-5-yl)-N-pyridin-3-ylprop-2-enamide
CID 126493187
2-anilino-N-[2-oxo-2-(propan-2-ylamino)ethyl]pyrimidine-5-carboxamide
CID 72843392
(2-anilinopyrimidin-5-yl)-(4-benzylpiperidin-1-yl)methanone
CID 72902882
CID 172854912
CID 172854912
2-anilino-N-[(1-phenylpyrazol-4-yl)methyl]pyrimidine-5-carboxamide
CID 72851855

Frequently Asked Questions

What is the IUPAC name of (2-anilinopyrimidin-5-yl)methanol;methane?
The IUPAC name of (2-anilinopyrimidin-5-yl)methanol;methane (CID 161338476) is (2-anilinopyrimidin-5-yl)methanol;methane.
What is the SMILES notation for (2-anilinopyrimidin-5-yl)methanol;methane?
The canonical SMILES for (2-anilinopyrimidin-5-yl)methanol;methane is C.OCc1cnc(Nc2ccccc2)nc1.
What is the InChIKey of (2-anilinopyrimidin-5-yl)methanol;methane?
The InChIKey is VMIVXDPKKKXKNY-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H11N3O.CH4/c15-8-9-6-12-11(13-7-9)14-10-4-2-1-3-5-10;/h1-7,15H,8H2,(H,12,13,14);1H4.
What are the key properties of (2-anilinopyrimidin-5-yl)methanol;methane?
(2-anilinopyrimidin-5-yl)methanol;methane has a molecular weight of 217.27 g/mol, XLogP of 2.35, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2-anilinopyrimidin-5-yl)methanol;methane is sourced from PubChem (CID 161338476), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).