4-[[(6-propan-2-yloxypyrimidin-4-yl)amino]methyl]phenol

C14H17N3O2 — CID 114332586

IUPAC4-[[(6-propan-2-yloxypyrimidin-4-yl)amino]methyl]phenol
SMILESCC(C)Oc1cc(NCc2ccc(O)cc2)ncn1
InChIInChI=1S/C14H17N3O2/c1-10(2)19-14-7-13(16-9-17-14)15-8-11-3-5-12(18)6-4-11/h3-7,9-10,18H,8H2,1-2H3,(H,15,16,17)
InChIKeyWIHGFPUNFSMPQT-UHFFFAOYSA-N
MW259.31 g/mol
LogP2.58
Rot. Bonds5

About 4-[[(6-propan-2-yloxypyrimidin-4-yl)amino]methyl]phenol

4-[[(6-propan-2-yloxypyrimidin-4-yl)amino]methyl]phenol (PubChem CID 114332586) has the molecular formula C14H17N3O2 and a molecular weight of 259.31 g/mol. Its IUPAC name is 4-[[(6-propan-2-yloxypyrimidin-4-yl)amino]methyl]phenol.

Molecular Properties

Compound Name4-[[(6-propan-2-yloxypyrimidin-4-yl)amino]methyl]phenol
PubChem CID114332586
Molecular FormulaC14H17N3O2
Molecular Weight259.31 g/mol
Exact Mass259.13
IUPAC Name4-[[(6-propan-2-yloxypyrimidin-4-yl)amino]methyl]phenol
SMILESCC(C)Oc1cc(NCc2ccc(O)cc2)ncn1
InChIInChI=1S/C14H17N3O2/c1-10(2)19-14-7-13(16-9-17-14)15-8-11-3-5-12(18)6-4-11/h3-7,9-10,18H,8H2,1-2H3,(H,15,16,17)
InChIKeyWIHGFPUNFSMPQT-UHFFFAOYSA-N
XLogP2.58
TPSA67.27 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500259.31
LogP ≤ 52.58
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

4-[[(6-propoxypyrimidin-4-yl)amino]methyl]phenol
CID 114332543
N-[2-(4-aminophenyl)ethyl]-6-propan-2-yloxypyrimidin-4-amine
CID 66331408
4-[[(6-methylsulfanylpyrimidin-4-yl)amino]methyl]phenol
CID 106973079
2-[(6-propan-2-yloxypyrimidin-4-yl)amino]acetic acid
CID 66334030
N-[(1-methylpyrazol-3-yl)methyl]-6-propan-2-yloxypyrimidin-4-amine
CID 82874280
N-[(2-methoxyphenyl)methyl]-6-propan-2-yloxypyrimidin-4-amine
CID 66327152
N'-propan-2-yl-N-(6-propan-2-yloxypyrimidin-4-yl)ethane-1,2-diamine
CID 66334042
6-propan-2-yloxy-N-(2-thiophen-3-ylethyl)pyrimidin-4-amine
CID 66329575
6-propan-2-yloxy-N-(2,3,3-trimethylbutyl)pyrimidin-4-amine
CID 83143319
4-[2-[(6-methoxypyrimidin-4-yl)amino]ethyl]phenol
CID 66326603
3-[[(6-propan-2-yloxypyrimidin-4-yl)amino]methyl]pentan-3-ol
CID 66329217
4-[2-[(6-ethoxypyrimidin-4-yl)amino]ethyl]phenol
CID 66330560

Frequently Asked Questions

What is the IUPAC name of 4-[[(6-propan-2-yloxypyrimidin-4-yl)amino]methyl]phenol?
The IUPAC name of 4-[[(6-propan-2-yloxypyrimidin-4-yl)amino]methyl]phenol (CID 114332586) is 4-[[(6-propan-2-yloxypyrimidin-4-yl)amino]methyl]phenol.
What is the SMILES notation for 4-[[(6-propan-2-yloxypyrimidin-4-yl)amino]methyl]phenol?
The canonical SMILES for 4-[[(6-propan-2-yloxypyrimidin-4-yl)amino]methyl]phenol is CC(C)Oc1cc(NCc2ccc(O)cc2)ncn1.
What is the InChIKey of 4-[[(6-propan-2-yloxypyrimidin-4-yl)amino]methyl]phenol?
The InChIKey is WIHGFPUNFSMPQT-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H17N3O2/c1-10(2)19-14-7-13(16-9-17-14)15-8-11-3-5-12(18)6-4-11/h3-7,9-10,18H,8H2,1-2H3,(H,15,16,17).
What are the key properties of 4-[[(6-propan-2-yloxypyrimidin-4-yl)amino]methyl]phenol?
4-[[(6-propan-2-yloxypyrimidin-4-yl)amino]methyl]phenol has a molecular weight of 259.31 g/mol, XLogP of 2.58, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[[(6-propan-2-yloxypyrimidin-4-yl)amino]methyl]phenol is sourced from PubChem (CID 114332586), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).