4-[4-[(3-methoxyphenyl)methylamino]piperidin-1-yl]-6-methylpyrimidin-2-amine

C18H25N5O — CID 169075730

IUPAC4-[4-[(3-methoxyphenyl)methylamino]piperidin-1-yl]-6-methylpyrimidin-2-amine
SMILESCOc1cccc(CNC2CCN(c3cc(C)nc(N)n3)CC2)c1
InChIInChI=1S/C18H25N5O/c1-13-10-17(22-18(19)21-13)23-8-6-15(7-9-23)20-12-14-4-3-5-16(11-14)24-2/h3-5,10-11,15,20H,6-9,12H2,1-2H3,(H2,19,21,22)
InChIKeyRCFSSCBCGNDJJA-UHFFFAOYSA-N
MW327.43 g/mol
LogP2.13
Rot. Bonds5

About 4-[4-[(3-methoxyphenyl)methylamino]piperidin-1-yl]-6-methylpyrimidin-2-amine

4-[4-[(3-methoxyphenyl)methylamino]piperidin-1-yl]-6-methylpyrimidin-2-amine (PubChem CID 169075730) has the molecular formula C18H25N5O and a molecular weight of 327.43 g/mol. Its IUPAC name is 4-[4-[(3-methoxyphenyl)methylamino]piperidin-1-yl]-6-methylpyrimidin-2-amine.

Molecular Properties

Compound Name4-[4-[(3-methoxyphenyl)methylamino]piperidin-1-yl]-6-methylpyrimidin-2-amine
PubChem CID169075730
Molecular FormulaC18H25N5O
Molecular Weight327.43 g/mol
Exact Mass327.21
IUPAC Name4-[4-[(3-methoxyphenyl)methylamino]piperidin-1-yl]-6-methylpyrimidin-2-amine
SMILESCOc1cccc(CNC2CCN(c3cc(C)nc(N)n3)CC2)c1
InChIInChI=1S/C18H25N5O/c1-13-10-17(22-18(19)21-13)23-8-6-15(7-9-23)20-12-14-4-3-5-16(11-14)24-2/h3-5,10-11,15,20H,6-9,12H2,1-2H3,(H2,19,21,22)
InChIKeyRCFSSCBCGNDJJA-UHFFFAOYSA-N
XLogP2.13
TPSA76.30 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500327.43
LogP ≤ 52.13
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

4-methyl-6-[4-[(3-piperidin-1-ylphenyl)methylamino]piperidin-1-yl]pyrimidin-2-amine
CID 169075715
4-methyl-6-[4-[[1-(phenoxymethyl)cyclopropyl]methylamino]piperidin-1-yl]pyrimidin-2-amine
CID 72845869
N-[(3-methoxyphenyl)methyl]-4-propan-2-ylcyclohexan-1-amine
CID 62707677
4-[(3-methoxyphenyl)methylamino]cyclohexane-1-carboxylic acid
CID 60809214
2-N-[(3-methoxyphenyl)methyl]-6-methyl-1,3,5-triazine-2,4-diamine
CID 166178490
4-[(3-methoxyphenyl)methylamino]cyclohexane-1-carbonitrile
CID 115150172
4-[4-[(3-methoxyphenyl)methyl]piperidin-1-yl]-6-methyl-2-pyridin-3-ylpyrimidine
CID 133464903
1-(2-amino-6-methylpyrimidin-4-yl)piperidin-4-ol
CID 112724371
4-methyl-6-[4-[4-[(2S)-oxolan-2-yl]butylamino]piperidin-1-yl]pyrimidin-2-amine
CID 97206452
(4R)-N-[(3-methoxyphenyl)methyl]oxepan-4-amine
CID 124512291
3-methoxy-N-[(3-methoxyphenyl)methyl]cyclobutan-1-amine
CID 104587979
[1-(2-amino-6-methylpyrimidin-4-yl)piperidin-4-yl]-dimethylazanium chloride
CID 139084866

Frequently Asked Questions

What is the IUPAC name of 4-[4-[(3-methoxyphenyl)methylamino]piperidin-1-yl]-6-methylpyrimidin-2-amine?
The IUPAC name of 4-[4-[(3-methoxyphenyl)methylamino]piperidin-1-yl]-6-methylpyrimidin-2-amine (CID 169075730) is 4-[4-[(3-methoxyphenyl)methylamino]piperidin-1-yl]-6-methylpyrimidin-2-amine.
What is the SMILES notation for 4-[4-[(3-methoxyphenyl)methylamino]piperidin-1-yl]-6-methylpyrimidin-2-amine?
The canonical SMILES for 4-[4-[(3-methoxyphenyl)methylamino]piperidin-1-yl]-6-methylpyrimidin-2-amine is COc1cccc(CNC2CCN(c3cc(C)nc(N)n3)CC2)c1.
What is the InChIKey of 4-[4-[(3-methoxyphenyl)methylamino]piperidin-1-yl]-6-methylpyrimidin-2-amine?
The InChIKey is RCFSSCBCGNDJJA-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H25N5O/c1-13-10-17(22-18(19)21-13)23-8-6-15(7-9-23)20-12-14-4-3-5-16(11-14)24-2/h3-5,10-11,15,20H,6-9,12H2,1-2H3,(H2,19,21,22).
What are the key properties of 4-[4-[(3-methoxyphenyl)methylamino]piperidin-1-yl]-6-methylpyrimidin-2-amine?
4-[4-[(3-methoxyphenyl)methylamino]piperidin-1-yl]-6-methylpyrimidin-2-amine has a molecular weight of 327.43 g/mol, XLogP of 2.13, 5 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[4-[(3-methoxyphenyl)methylamino]piperidin-1-yl]-6-methylpyrimidin-2-amine is sourced from PubChem (CID 169075730), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).