[4-[2,5-dimethyl-6-(methylamino)pyrimidin-4-yl]oxyphenyl]methanol

C14H17N3O2 — CID 80870849

IUPAC[4-[2,5-dimethyl-6-(methylamino)pyrimidin-4-yl]oxyphenyl]methanol
SMILESCNc1nc(C)nc(Oc2ccc(CO)cc2)c1C
InChIInChI=1S/C14H17N3O2/c1-9-13(15-3)16-10(2)17-14(9)19-12-6-4-11(8-18)5-7-12/h4-7,18H,8H2,1-3H3,(H,15,16,17)
InChIKeyMKCMHMWEUJBNDF-UHFFFAOYSA-N
MW259.31 g/mol
LogP2.42
Rot. Bonds4

About [4-[2,5-dimethyl-6-(methylamino)pyrimidin-4-yl]oxyphenyl]methanol

[4-[2,5-dimethyl-6-(methylamino)pyrimidin-4-yl]oxyphenyl]methanol (PubChem CID 80870849) has the molecular formula C14H17N3O2 and a molecular weight of 259.31 g/mol. Its IUPAC name is [4-[2,5-dimethyl-6-(methylamino)pyrimidin-4-yl]oxyphenyl]methanol.

Molecular Properties

Compound Name[4-[2,5-dimethyl-6-(methylamino)pyrimidin-4-yl]oxyphenyl]methanol
PubChem CID80870849
Molecular FormulaC14H17N3O2
Molecular Weight259.31 g/mol
Exact Mass259.13
IUPAC Name[4-[2,5-dimethyl-6-(methylamino)pyrimidin-4-yl]oxyphenyl]methanol
SMILESCNc1nc(C)nc(Oc2ccc(CO)cc2)c1C
InChIInChI=1S/C14H17N3O2/c1-9-13(15-3)16-10(2)17-14(9)19-12-6-4-11(8-18)5-7-12/h4-7,18H,8H2,1-3H3,(H,15,16,17)
InChIKeyMKCMHMWEUJBNDF-UHFFFAOYSA-N
XLogP2.42
TPSA67.27 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500259.31
LogP ≤ 52.42
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

4-N-methyl-6-[(1S)-1-phenylethoxy]pyrimidine-2,4-diamine
CID 155548365
[2-Methoxy-6-(2-methoxy-benzyloxy)-pyrimidin-4-yl]-[2-(4-methoxy-phenyl)-ethyl]-amine
CID 53323153
4-N-methyl-6-phenylmethoxypyrimidine-2,4-diamine
CID 80858380
6-[(4-Methoxyphenyl)methoxy]pyrimidine-2,4-diamine
CID 80866364
[4-[2-Amino-6-(benzylamino)pyrimidin-4-yl]oxyphenyl]methanol
CID 44373962
4-N-benzyl-6-(4-propylphenoxy)pyrimidine-2,4-diamine
CID 44373974
4-N-benzyl-6-(4-methylphenoxy)pyrimidine-2,4-diamine
CID 44374308
2-[4-(2-aminoethyl)phenoxy]-6-[2-(dimethylamino)ethoxy]-N-(2-methoxyethyl)pyrimidin-4-amine
CID 44577026
2-[4-(2-aminoethyl)phenoxy]-6-[2-(dimethylamino)ethoxy]-N-(3-propan-2-yloxypropyl)pyrimidin-4-amine
CID 44577494
[1-(2-Amino-6-methoxypyrimidin-4-yl)-4-(4-methoxybenzyl)piperidin-4-yl]methanol
CID 56758329
4-Bromo-6-[(4-methoxyphenyl)methoxy]-2-methylpyrimidine
CID 91636356
N-[3-[(4-methoxyphenyl)methoxy]propyl]-5-methylpyrimidin-2-amine
CID 91646378

Frequently Asked Questions

What is the IUPAC name of [4-[2,5-dimethyl-6-(methylamino)pyrimidin-4-yl]oxyphenyl]methanol?
The IUPAC name of [4-[2,5-dimethyl-6-(methylamino)pyrimidin-4-yl]oxyphenyl]methanol (CID 80870849) is [4-[2,5-dimethyl-6-(methylamino)pyrimidin-4-yl]oxyphenyl]methanol.
What is the SMILES notation for [4-[2,5-dimethyl-6-(methylamino)pyrimidin-4-yl]oxyphenyl]methanol?
The canonical SMILES for [4-[2,5-dimethyl-6-(methylamino)pyrimidin-4-yl]oxyphenyl]methanol is CNc1nc(C)nc(Oc2ccc(CO)cc2)c1C.
What is the InChIKey of [4-[2,5-dimethyl-6-(methylamino)pyrimidin-4-yl]oxyphenyl]methanol?
The InChIKey is MKCMHMWEUJBNDF-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H17N3O2/c1-9-13(15-3)16-10(2)17-14(9)19-12-6-4-11(8-18)5-7-12/h4-7,18H,8H2,1-3H3,(H,15,16,17).
What are the key properties of [4-[2,5-dimethyl-6-(methylamino)pyrimidin-4-yl]oxyphenyl]methanol?
[4-[2,5-dimethyl-6-(methylamino)pyrimidin-4-yl]oxyphenyl]methanol has a molecular weight of 259.31 g/mol, XLogP of 2.42, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [4-[2,5-dimethyl-6-(methylamino)pyrimidin-4-yl]oxyphenyl]methanol is sourced from PubChem (CID 80870849), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).