4-[[(6-propoxypyrimidin-4-yl)amino]methyl]phenol

C14H17N3O2 — CID 114332543

IUPAC4-[[(6-propoxypyrimidin-4-yl)amino]methyl]phenol
SMILESCCCOc1cc(NCc2ccc(O)cc2)ncn1
InChIInChI=1S/C14H17N3O2/c1-2-7-19-14-8-13(16-10-17-14)15-9-11-3-5-12(18)6-4-11/h3-6,8,10,18H,2,7,9H2,1H3,(H,15,16,17)
InChIKeyUOIVBJDJDQFJKL-UHFFFAOYSA-N
MW259.31 g/mol
LogP2.58
Rot. Bonds6

About 4-[[(6-propoxypyrimidin-4-yl)amino]methyl]phenol

4-[[(6-propoxypyrimidin-4-yl)amino]methyl]phenol (PubChem CID 114332543) has the molecular formula C14H17N3O2 and a molecular weight of 259.31 g/mol. Its IUPAC name is 4-[[(6-propoxypyrimidin-4-yl)amino]methyl]phenol.

Molecular Properties

Compound Name4-[[(6-propoxypyrimidin-4-yl)amino]methyl]phenol
PubChem CID114332543
Molecular FormulaC14H17N3O2
Molecular Weight259.31 g/mol
Exact Mass259.13
IUPAC Name4-[[(6-propoxypyrimidin-4-yl)amino]methyl]phenol
SMILESCCCOc1cc(NCc2ccc(O)cc2)ncn1
InChIInChI=1S/C14H17N3O2/c1-2-7-19-14-8-13(16-10-17-14)15-9-11-3-5-12(18)6-4-11/h3-6,8,10,18H,2,7,9H2,1H3,(H,15,16,17)
InChIKeyUOIVBJDJDQFJKL-UHFFFAOYSA-N
XLogP2.58
TPSA67.27 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
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-propan-2-yloxypyrimidin-4-yl)amino]methyl]phenol
CID 114332586
N-[[3-(chloromethyl)phenyl]methyl]-6-propoxypyrimidin-4-amine
CID 66332407
4-[2-[(6-ethoxypyrimidin-4-yl)amino]ethyl]phenol
CID 66330560
6-propoxy-N-(pyridin-2-ylmethyl)pyrimidin-4-amine
CID 66327754
6-[(4-chlorophenyl)methoxy]-N-[(4-chlorophenyl)methyl]pyrimidin-4-amine
CID 134116375
4-[[(6-methylsulfanylpyrimidin-4-yl)amino]methyl]phenol
CID 106973079
6-ethoxy-N-[[4-(trifluoromethyl)phenyl]methyl]pyrimidin-4-amine
CID 66328025
N-[(3-methyl-2-pyridinyl)methyl]-6-propoxypyrimidin-4-amine
CID 66329796
N-(1H-imidazol-2-ylmethyl)-6-propoxypyrimidin-4-amine
CID 66329022
6-butoxy-N-(pyridin-3-ylmethyl)pyrimidin-4-amine
CID 82453638
4-[2-[(6-methoxypyrimidin-4-yl)amino]ethyl]phenol
CID 66326603
N-[(4-methyl-1,3-thiazol-5-yl)methyl]-6-propoxypyrimidin-4-amine
CID 66328817

Frequently Asked Questions

What is the IUPAC name of 4-[[(6-propoxypyrimidin-4-yl)amino]methyl]phenol?
The IUPAC name of 4-[[(6-propoxypyrimidin-4-yl)amino]methyl]phenol (CID 114332543) is 4-[[(6-propoxypyrimidin-4-yl)amino]methyl]phenol.
What is the SMILES notation for 4-[[(6-propoxypyrimidin-4-yl)amino]methyl]phenol?
The canonical SMILES for 4-[[(6-propoxypyrimidin-4-yl)amino]methyl]phenol is CCCOc1cc(NCc2ccc(O)cc2)ncn1.
What is the InChIKey of 4-[[(6-propoxypyrimidin-4-yl)amino]methyl]phenol?
The InChIKey is UOIVBJDJDQFJKL-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H17N3O2/c1-2-7-19-14-8-13(16-10-17-14)15-9-11-3-5-12(18)6-4-11/h3-6,8,10,18H,2,7,9H2,1H3,(H,15,16,17).
What are the key properties of 4-[[(6-propoxypyrimidin-4-yl)amino]methyl]phenol?
4-[[(6-propoxypyrimidin-4-yl)amino]methyl]phenol has a molecular weight of 259.31 g/mol, XLogP of 2.58, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[[(6-propoxypyrimidin-4-yl)amino]methyl]phenol is sourced from PubChem (CID 114332543), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).