6-[2-[(2-methoxyphenyl)methyl]piperidin-1-yl]-4-N-methylpyrimidine-2,4-diamine

C18H25N5O — CID 122456389

IUPAC6-[2-[(2-methoxyphenyl)methyl]piperidin-1-yl]-4-N-methylpyrimidine-2,4-diamine
SMILESCNc1cc(N2CCCCC2Cc2ccccc2OC)nc(N)n1
InChIInChI=1S/C18H25N5O/c1-20-16-12-17(22-18(19)21-16)23-10-6-5-8-14(23)11-13-7-3-4-9-15(13)24-2/h3-4,7,9,12,14H,5-6,8,10-11H2,1-2H3,(H3,19,20,21,22)
InChIKeyKUVNGOODIUWLEL-UHFFFAOYSA-N
MW327.43 g/mol
LogP2.71
Rot. Bonds5

About 6-[2-[(2-methoxyphenyl)methyl]piperidin-1-yl]-4-N-methylpyrimidine-2,4-diamine

6-[2-[(2-methoxyphenyl)methyl]piperidin-1-yl]-4-N-methylpyrimidine-2,4-diamine (PubChem CID 122456389) has the molecular formula C18H25N5O and a molecular weight of 327.43 g/mol. Its IUPAC name is 6-[2-[(2-methoxyphenyl)methyl]piperidin-1-yl]-4-N-methylpyrimidine-2,4-diamine.

Molecular Properties

Compound Name6-[2-[(2-methoxyphenyl)methyl]piperidin-1-yl]-4-N-methylpyrimidine-2,4-diamine
PubChem CID122456389
Molecular FormulaC18H25N5O
Molecular Weight327.43 g/mol
Exact Mass327.21
IUPAC Name6-[2-[(2-methoxyphenyl)methyl]piperidin-1-yl]-4-N-methylpyrimidine-2,4-diamine
SMILESCNc1cc(N2CCCCC2Cc2ccccc2OC)nc(N)n1
InChIInChI=1S/C18H25N5O/c1-20-16-12-17(22-18(19)21-16)23-10-6-5-8-14(23)11-13-7-3-4-9-15(13)24-2/h3-4,7,9,12,14H,5-6,8,10-11H2,1-2H3,(H3,19,20,21,22)
InChIKeyKUVNGOODIUWLEL-UHFFFAOYSA-N
XLogP2.71
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 ≤ 52.71
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 6-[2-[(2-methoxyphenyl)methyl]piperidin-1-yl]-4-N-methylpyrimidine-2,4-diamine?
The IUPAC name of 6-[2-[(2-methoxyphenyl)methyl]piperidin-1-yl]-4-N-methylpyrimidine-2,4-diamine (CID 122456389) is 6-[2-[(2-methoxyphenyl)methyl]piperidin-1-yl]-4-N-methylpyrimidine-2,4-diamine.
What is the SMILES notation for 6-[2-[(2-methoxyphenyl)methyl]piperidin-1-yl]-4-N-methylpyrimidine-2,4-diamine?
The canonical SMILES for 6-[2-[(2-methoxyphenyl)methyl]piperidin-1-yl]-4-N-methylpyrimidine-2,4-diamine is CNc1cc(N2CCCCC2Cc2ccccc2OC)nc(N)n1.
What is the InChIKey of 6-[2-[(2-methoxyphenyl)methyl]piperidin-1-yl]-4-N-methylpyrimidine-2,4-diamine?
The InChIKey is KUVNGOODIUWLEL-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H25N5O/c1-20-16-12-17(22-18(19)21-16)23-10-6-5-8-14(23)11-13-7-3-4-9-15(13)24-2/h3-4,7,9,12,14H,5-6,8,10-11H2,1-2H3,(H3,19,20,21,22).
What are the key properties of 6-[2-[(2-methoxyphenyl)methyl]piperidin-1-yl]-4-N-methylpyrimidine-2,4-diamine?
6-[2-[(2-methoxyphenyl)methyl]piperidin-1-yl]-4-N-methylpyrimidine-2,4-diamine has a molecular weight of 327.43 g/mol, XLogP of 2.71, 5 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[2-[(2-methoxyphenyl)methyl]piperidin-1-yl]-4-N-methylpyrimidine-2,4-diamine is sourced from PubChem (CID 122456389), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).