N-[(3R,4R)-1-benzyl-4-methylpiperidin-3-yl]-N-methylpyrido[3,4-d]pyrimidin-4-amine

C21H25N5 — CID 163348862

IUPACN-[(3R,4R)-1-benzyl-4-methylpiperidin-3-yl]-N-methylpyrido[3,4-d]pyrimidin-4-amine
SMILESC[C@@H]1CCN(Cc2ccccc2)C[C@@H]1N(C)c1ncnc2cnccc12
InChIInChI=1S/C21H25N5/c1-16-9-11-26(13-17-6-4-3-5-7-17)14-20(16)25(2)21-18-8-10-22-12-19(18)23-15-24-21/h3-8,10,12,15-16,20H,9,11,13-14H2,1-2H3/t16-,20+/m1/s1
InChIKeyATXNBUSBGSJDAR-UZLBHIALSA-N
MW347.47 g/mol
LogP3.37
Rot. Bonds4

About N-[(3R,4R)-1-benzyl-4-methylpiperidin-3-yl]-N-methylpyrido[3,4-d]pyrimidin-4-amine

N-[(3R,4R)-1-benzyl-4-methylpiperidin-3-yl]-N-methylpyrido[3,4-d]pyrimidin-4-amine (PubChem CID 163348862) has the molecular formula C21H25N5 and a molecular weight of 347.47 g/mol. Its IUPAC name is N-[(3R,4R)-1-benzyl-4-methylpiperidin-3-yl]-N-methylpyrido[3,4-d]pyrimidin-4-amine.

Molecular Properties

Compound NameN-[(3R,4R)-1-benzyl-4-methylpiperidin-3-yl]-N-methylpyrido[3,4-d]pyrimidin-4-amine
PubChem CID163348862
Molecular FormulaC21H25N5
Molecular Weight347.47 g/mol
Exact Mass347.21
IUPAC NameN-[(3R,4R)-1-benzyl-4-methylpiperidin-3-yl]-N-methylpyrido[3,4-d]pyrimidin-4-amine
SMILESC[C@@H]1CCN(Cc2ccccc2)C[C@@H]1N(C)c1ncnc2cnccc12
InChIInChI=1S/C21H25N5/c1-16-9-11-26(13-17-6-4-3-5-7-17)14-20(16)25(2)21-18-8-10-22-12-19(18)23-15-24-21/h3-8,10,12,15-16,20H,9,11,13-14H2,1-2H3/t16-,20+/m1/s1
InChIKeyATXNBUSBGSJDAR-UZLBHIALSA-N
XLogP3.37
TPSA45.15 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500347.47
LogP ≤ 53.37
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-[(3R,4R)-1-benzyl-4-methylpiperidin-3-yl]-N-methylpyrido[3,4-d]pyrimidin-4-amine?
The IUPAC name of N-[(3R,4R)-1-benzyl-4-methylpiperidin-3-yl]-N-methylpyrido[3,4-d]pyrimidin-4-amine (CID 163348862) is N-[(3R,4R)-1-benzyl-4-methylpiperidin-3-yl]-N-methylpyrido[3,4-d]pyrimidin-4-amine.
What is the SMILES notation for N-[(3R,4R)-1-benzyl-4-methylpiperidin-3-yl]-N-methylpyrido[3,4-d]pyrimidin-4-amine?
The canonical SMILES for N-[(3R,4R)-1-benzyl-4-methylpiperidin-3-yl]-N-methylpyrido[3,4-d]pyrimidin-4-amine is C[C@@H]1CCN(Cc2ccccc2)C[C@@H]1N(C)c1ncnc2cnccc12.
What is the InChIKey of N-[(3R,4R)-1-benzyl-4-methylpiperidin-3-yl]-N-methylpyrido[3,4-d]pyrimidin-4-amine?
The InChIKey is ATXNBUSBGSJDAR-UZLBHIALSA-N. The full InChI is InChI=1S/C21H25N5/c1-16-9-11-26(13-17-6-4-3-5-7-17)14-20(16)25(2)21-18-8-10-22-12-19(18)23-15-24-21/h3-8,10,12,15-16,20H,9,11,13-14H2,1-2H3/t16-,20+/m1/s1.
What are the key properties of N-[(3R,4R)-1-benzyl-4-methylpiperidin-3-yl]-N-methylpyrido[3,4-d]pyrimidin-4-amine?
N-[(3R,4R)-1-benzyl-4-methylpiperidin-3-yl]-N-methylpyrido[3,4-d]pyrimidin-4-amine has a molecular weight of 347.47 g/mol, XLogP of 3.37, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(3R,4R)-1-benzyl-4-methylpiperidin-3-yl]-N-methylpyrido[3,4-d]pyrimidin-4-amine is sourced from PubChem (CID 163348862), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).