2-methyl-5-(pyrimidin-4-ylmethylamino)phenol

C12H13N3O — CID 107699875

IUPAC2-methyl-5-(pyrimidin-4-ylmethylamino)phenol
SMILESCc1ccc(NCc2ccncn2)cc1O
InChIInChI=1S/C12H13N3O/c1-9-2-3-10(6-12(9)16)14-7-11-4-5-13-8-15-11/h2-6,8,14,16H,7H2,1H3
InChIKeyMWWJZXDDHBJGIM-UHFFFAOYSA-N
MW215.26 g/mol
LogP2.10
Rot. Bonds3

About 2-methyl-5-(pyrimidin-4-ylmethylamino)phenol

2-methyl-5-(pyrimidin-4-ylmethylamino)phenol (PubChem CID 107699875) has the molecular formula C12H13N3O and a molecular weight of 215.26 g/mol. Its IUPAC name is 2-methyl-5-(pyrimidin-4-ylmethylamino)phenol.

Molecular Properties

Compound Name2-methyl-5-(pyrimidin-4-ylmethylamino)phenol
PubChem CID107699875
Molecular FormulaC12H13N3O
Molecular Weight215.26 g/mol
Exact Mass215.11
IUPAC Name2-methyl-5-(pyrimidin-4-ylmethylamino)phenol
SMILESCc1ccc(NCc2ccncn2)cc1O
InChIInChI=1S/C12H13N3O/c1-9-2-3-10(6-12(9)16)14-7-11-4-5-13-8-15-11/h2-6,8,14,16H,7H2,1H3
InChIKeyMWWJZXDDHBJGIM-UHFFFAOYSA-N
XLogP2.10
TPSA58.04 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500215.26
LogP ≤ 52.10
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

5-methyl-N-(pyrimidin-4-ylmethyl)pyridin-3-amine
CID 107584713
4-methylsulfanyl-N-(pyrimidin-4-ylmethyl)aniline
CID 62760028
4-iodo-N-(pyrimidin-4-ylmethyl)aniline
CID 62760584
5-bromo-2-methyl-N-(pyrimidin-4-ylmethyl)aniline
CID 62749598
2-chloro-N-methyl-5-(pyrimidin-4-ylmethylamino)benzamide
CID 55109869
4-(pyrimidin-4-ylmethylamino)benzoic acid
CID 55210671
4-(pyrimidin-4-ylmethylamino)pyridine-2-carbothioamide
CID 114111088
5-[(3-hydroxyphenyl)methylamino]-2-methylphenol
CID 22983329
2-methoxy-N-[3-(pyrimidin-4-ylmethylamino)phenyl]acetamide
CID 62748713
3,4,5-trimethoxy-N-(pyrimidin-4-ylmethyl)aniline
CID 62759295
N-ethyl-3-(pyrimidin-4-ylmethylamino)benzamide
CID 62760777
tert-butyl N-[2-fluoro-5-(pyrimidin-4-ylmethylamino)phenyl]carbamate
CID 107240536

Frequently Asked Questions

What is the IUPAC name of 2-methyl-5-(pyrimidin-4-ylmethylamino)phenol?
The IUPAC name of 2-methyl-5-(pyrimidin-4-ylmethylamino)phenol (CID 107699875) is 2-methyl-5-(pyrimidin-4-ylmethylamino)phenol.
What is the SMILES notation for 2-methyl-5-(pyrimidin-4-ylmethylamino)phenol?
The canonical SMILES for 2-methyl-5-(pyrimidin-4-ylmethylamino)phenol is Cc1ccc(NCc2ccncn2)cc1O.
What is the InChIKey of 2-methyl-5-(pyrimidin-4-ylmethylamino)phenol?
The InChIKey is MWWJZXDDHBJGIM-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H13N3O/c1-9-2-3-10(6-12(9)16)14-7-11-4-5-13-8-15-11/h2-6,8,14,16H,7H2,1H3.
What are the key properties of 2-methyl-5-(pyrimidin-4-ylmethylamino)phenol?
2-methyl-5-(pyrimidin-4-ylmethylamino)phenol has a molecular weight of 215.26 g/mol, XLogP of 2.10, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-5-(pyrimidin-4-ylmethylamino)phenol is sourced from PubChem (CID 107699875), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).