[4-[2-[[2-(methoxymethyl)-6-methylpyrimidin-4-yl]amino]ethyl]phenyl]methanol

C16H21N3O2 — CID 133434753

IUPAC[4-[2-[[2-(methoxymethyl)-6-methylpyrimidin-4-yl]amino]ethyl]phenyl]methanol
SMILESCOCc1nc(C)cc(NCCc2ccc(CO)cc2)n1
InChIInChI=1S/C16H21N3O2/c1-12-9-15(19-16(18-12)11-21-2)17-8-7-13-3-5-14(10-20)6-4-13/h3-6,9,20H,7-8,10-11H2,1-2H3,(H,17,18,19)
InChIKeyMLKCDIWKMFCPRQ-UHFFFAOYSA-N
MW287.36 g/mol
LogP2.08
Rot. Bonds7

About [4-[2-[[2-(methoxymethyl)-6-methylpyrimidin-4-yl]amino]ethyl]phenyl]methanol

[4-[2-[[2-(methoxymethyl)-6-methylpyrimidin-4-yl]amino]ethyl]phenyl]methanol (PubChem CID 133434753) has the molecular formula C16H21N3O2 and a molecular weight of 287.36 g/mol. Its IUPAC name is [4-[2-[[2-(methoxymethyl)-6-methylpyrimidin-4-yl]amino]ethyl]phenyl]methanol.

Molecular Properties

Compound Name[4-[2-[[2-(methoxymethyl)-6-methylpyrimidin-4-yl]amino]ethyl]phenyl]methanol
PubChem CID133434753
Molecular FormulaC16H21N3O2
Molecular Weight287.36 g/mol
Exact Mass287.16
IUPAC Name[4-[2-[[2-(methoxymethyl)-6-methylpyrimidin-4-yl]amino]ethyl]phenyl]methanol
SMILESCOCc1nc(C)cc(NCCc2ccc(CO)cc2)n1
InChIInChI=1S/C16H21N3O2/c1-12-9-15(19-16(18-12)11-21-2)17-8-7-13-3-5-14(10-20)6-4-13/h3-6,9,20H,7-8,10-11H2,1-2H3,(H,17,18,19)
InChIKeyMLKCDIWKMFCPRQ-UHFFFAOYSA-N
XLogP2.08
TPSA67.27 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500287.36
LogP ≤ 52.08
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Analyze [4-[2-[[2-(methoxymethyl)-6-methylpyrimidin-4-yl]amino]ethyl]phenyl]methanol with MolForge

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Related Compounds

2-(methoxymethyl)-6-methyl-N-(2-quinolin-3-ylethyl)pyrimidin-4-amine
CID 138053604
6-chloro-N-[2-(4-fluorophenyl)ethyl]-2-(methoxymethyl)pyrimidin-4-amine
CID 82463163
N-[2-(2-bromo-5-chlorophenyl)ethyl]-2-(methoxymethyl)-6-methylpyrimidin-4-amine
CID 133387523
2-chloro-N-[2-(4-methoxyphenyl)ethyl]-6-methylpyrimidin-4-amine
CID 62476087
[2-(iodomethyl)-6-[2-(4-methoxyphenyl)ethylamino]pyrimidin-4-yl]methanol
CID 89323620
4-[2-[[6-methyl-2-(propylamino)pyrimidin-4-yl]amino]ethyl]phenol
CID 80776172
4-N-[2-(3-methoxyphenyl)ethyl]-2-N-[2-(4-methoxyphenyl)ethyl]-6-methylpyrimidine-2,4-diamine
CID 112921111
4-N-[2-(4-methoxyphenyl)ethyl]-6-methyl-2-N,2-N-dipropylpyrimidine-2,4-diamine
CID 112921302
2-(methoxymethyl)-6-methyl-N-[3-(1,2,4-triazol-1-yl)propyl]pyrimidin-4-amine
CID 126821803
2-N-[2-(4-methoxyphenyl)ethyl]-6-methyl-4-N-(3-phenylpropyl)pyrimidine-2,4-diamine
CID 112921379
methyl 4-[[4-(hydroxymethyl)phenyl]methylamino]-6-methylpyrimidine-2-carboxylate
CID 107232375
2-[2-(4-hydroxyphenyl)ethylamino]-6-methylpyridine-4-carbonitrile
CID 114765933

Frequently Asked Questions

What is the IUPAC name of [4-[2-[[2-(methoxymethyl)-6-methylpyrimidin-4-yl]amino]ethyl]phenyl]methanol?
The IUPAC name of [4-[2-[[2-(methoxymethyl)-6-methylpyrimidin-4-yl]amino]ethyl]phenyl]methanol (CID 133434753) is [4-[2-[[2-(methoxymethyl)-6-methylpyrimidin-4-yl]amino]ethyl]phenyl]methanol.
What is the SMILES notation for [4-[2-[[2-(methoxymethyl)-6-methylpyrimidin-4-yl]amino]ethyl]phenyl]methanol?
The canonical SMILES for [4-[2-[[2-(methoxymethyl)-6-methylpyrimidin-4-yl]amino]ethyl]phenyl]methanol is COCc1nc(C)cc(NCCc2ccc(CO)cc2)n1.
What is the InChIKey of [4-[2-[[2-(methoxymethyl)-6-methylpyrimidin-4-yl]amino]ethyl]phenyl]methanol?
The InChIKey is MLKCDIWKMFCPRQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H21N3O2/c1-12-9-15(19-16(18-12)11-21-2)17-8-7-13-3-5-14(10-20)6-4-13/h3-6,9,20H,7-8,10-11H2,1-2H3,(H,17,18,19).
What are the key properties of [4-[2-[[2-(methoxymethyl)-6-methylpyrimidin-4-yl]amino]ethyl]phenyl]methanol?
[4-[2-[[2-(methoxymethyl)-6-methylpyrimidin-4-yl]amino]ethyl]phenyl]methanol has a molecular weight of 287.36 g/mol, XLogP of 2.08, 7 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [4-[2-[[2-(methoxymethyl)-6-methylpyrimidin-4-yl]amino]ethyl]phenyl]methanol is sourced from PubChem (CID 133434753), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).