2-amino-5-[[(5-methoxypyrimidin-2-yl)amino]methyl]phenol

C12H14N4O2 — CID 69341732

IUPAC2-amino-5-[[(5-methoxypyrimidin-2-yl)amino]methyl]phenol
SMILESCOc1cnc(NCc2ccc(N)c(O)c2)nc1
InChIInChI=1S/C12H14N4O2/c1-18-9-6-15-12(16-7-9)14-5-8-2-3-10(13)11(17)4-8/h2-4,6-7,17H,5,13H2,1H3,(H,14,15,16)
InChIKeyRXCVMXRZVRNJEI-UHFFFAOYSA-N
MW246.27 g/mol
LogP1.39
Rot. Bonds4

About 2-amino-5-[[(5-methoxypyrimidin-2-yl)amino]methyl]phenol

2-amino-5-[[(5-methoxypyrimidin-2-yl)amino]methyl]phenol (PubChem CID 69341732) has the molecular formula C12H14N4O2 and a molecular weight of 246.27 g/mol. Its IUPAC name is 2-amino-5-[[(5-methoxypyrimidin-2-yl)amino]methyl]phenol.

Molecular Properties

Compound Name2-amino-5-[[(5-methoxypyrimidin-2-yl)amino]methyl]phenol
PubChem CID69341732
Molecular FormulaC12H14N4O2
Molecular Weight246.27 g/mol
Exact Mass246.11
IUPAC Name2-amino-5-[[(5-methoxypyrimidin-2-yl)amino]methyl]phenol
SMILESCOc1cnc(NCc2ccc(N)c(O)c2)nc1
InChIInChI=1S/C12H14N4O2/c1-18-9-6-15-12(16-7-9)14-5-8-2-3-10(13)11(17)4-8/h2-4,6-7,17H,5,13H2,1H3,(H,14,15,16)
InChIKeyRXCVMXRZVRNJEI-UHFFFAOYSA-N
XLogP1.39
TPSA93.29 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500246.27
LogP ≤ 51.39
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aniline', 'substructure': 'N/A'}, {'alert_name': 'catechol', 'substructure': 'N/A'}

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Related Compounds

2-amino-5-[[(6-methoxy-3-pyridinyl)amino]methyl]phenol
CID 69341790
5-methoxy-N-[[4-(trifluoromethyl)phenyl]methyl]pyrimidin-2-amine
CID 114600577
2-amino-5-[(pyridin-2-ylamino)methyl]phenol
CID 69342170
5-iodo-N-[(4-methoxyphenyl)methyl]pyrimidin-2-amine
CID 115620538
5-iodo-N-[(4-methoxyphenyl)methyl]pyrimidin-2-amine;(4-methoxyphenyl)methanamine
CID 138683371
2-amino-5-[(1,2-oxazol-5-ylamino)methyl]phenol
CID 69342392
2-N-[(6-methoxy-3-pyridinyl)methyl]pyrimidine-2,5-diamine
CID 62989885
N-[(4-methoxyphenyl)methyl]-5-(2-methylsulfanylethoxy)pyrimidin-2-amine
CID 58339649
2-N-[(4-methoxyphenyl)methyl]-5-methylpyridine-2,4-diamine
CID 83265796
2-methoxy-5-[[(6-methyl-3-pyridinyl)amino]methyl]phenol
CID 81498732
N-[(4-methoxyphenyl)methyl]-5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyrimidin-2-amine
CID 53217154
2-methoxy-5-[[(5-methyl-2-pyridinyl)amino]methyl]phenol
CID 71695384

Frequently Asked Questions

What is the IUPAC name of 2-amino-5-[[(5-methoxypyrimidin-2-yl)amino]methyl]phenol?
The IUPAC name of 2-amino-5-[[(5-methoxypyrimidin-2-yl)amino]methyl]phenol (CID 69341732) is 2-amino-5-[[(5-methoxypyrimidin-2-yl)amino]methyl]phenol.
What is the SMILES notation for 2-amino-5-[[(5-methoxypyrimidin-2-yl)amino]methyl]phenol?
The canonical SMILES for 2-amino-5-[[(5-methoxypyrimidin-2-yl)amino]methyl]phenol is COc1cnc(NCc2ccc(N)c(O)c2)nc1.
What is the InChIKey of 2-amino-5-[[(5-methoxypyrimidin-2-yl)amino]methyl]phenol?
The InChIKey is RXCVMXRZVRNJEI-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H14N4O2/c1-18-9-6-15-12(16-7-9)14-5-8-2-3-10(13)11(17)4-8/h2-4,6-7,17H,5,13H2,1H3,(H,14,15,16).
What are the key properties of 2-amino-5-[[(5-methoxypyrimidin-2-yl)amino]methyl]phenol?
2-amino-5-[[(5-methoxypyrimidin-2-yl)amino]methyl]phenol has a molecular weight of 246.27 g/mol, XLogP of 1.39, 4 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-5-[[(5-methoxypyrimidin-2-yl)amino]methyl]phenol is sourced from PubChem (CID 69341732), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).