N-(1-benzyl-4-methylpiperidin-3-yl)-N-methyl-5,6,7,8-tetrahydropyrido[3,4-d]pyrimidin-4-amine

C21H29N5 — CID 146447998

IUPACN-(1-benzyl-4-methylpiperidin-3-yl)-N-methyl-5,6,7,8-tetrahydropyrido[3,4-d]pyrimidin-4-amine
SMILESCC1CCN(Cc2ccccc2)CC1N(C)c1ncnc2c1CCNC2
InChIInChI=1S/C21H29N5/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/h3-7,15-16,20,22H,8-14H2,1-2H3
InChIKeyIPBLINHKNTXBQB-UHFFFAOYSA-N
MW351.50 g/mol
LogP2.47
Rot. Bonds4

About N-(1-benzyl-4-methylpiperidin-3-yl)-N-methyl-5,6,7,8-tetrahydropyrido[3,4-d]pyrimidin-4-amine

N-(1-benzyl-4-methylpiperidin-3-yl)-N-methyl-5,6,7,8-tetrahydropyrido[3,4-d]pyrimidin-4-amine (PubChem CID 146447998) has the molecular formula C21H29N5 and a molecular weight of 351.50 g/mol. Its IUPAC name is N-(1-benzyl-4-methylpiperidin-3-yl)-N-methyl-5,6,7,8-tetrahydropyrido[3,4-d]pyrimidin-4-amine.

Molecular Properties

Compound NameN-(1-benzyl-4-methylpiperidin-3-yl)-N-methyl-5,6,7,8-tetrahydropyrido[3,4-d]pyrimidin-4-amine
PubChem CID146447998
Molecular FormulaC21H29N5
Molecular Weight351.50 g/mol
Exact Mass351.24
IUPAC NameN-(1-benzyl-4-methylpiperidin-3-yl)-N-methyl-5,6,7,8-tetrahydropyrido[3,4-d]pyrimidin-4-amine
SMILESCC1CCN(Cc2ccccc2)CC1N(C)c1ncnc2c1CCNC2
InChIInChI=1S/C21H29N5/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/h3-7,15-16,20,22H,8-14H2,1-2H3
InChIKeyIPBLINHKNTXBQB-UHFFFAOYSA-N
XLogP2.47
TPSA44.29 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500351.50
LogP ≤ 52.47
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-[(3R,4R)-1-benzyl-4-methylpiperidin-3-yl]-N-methylpyrido[3,4-d]pyrimidin-4-amine
CID 163348862
N-[(3R)-1-benzyl-4-methylpiperidin-3-yl]-N-methyl-7-(4-methylphenyl)sulfonylpyrrolo[2,3-d]pyrimidin-4-amine
CID 144656856
[7-(benzenesulfonyl)-4-[(1-benzyl-4-methylpiperidin-3-yl)-methylamino]pyrrolo[2,3-d]pyrimidin-6-yl]methanol
CID 59772946
1-benzyl-N,N,3-trimethylpiperidin-4-amine
CID 71634856
N-methyl-N-[4-methyl-1-[(4-methylsulfonylphenyl)methyl]piperidin-3-yl]-7H-pyrrolo[2,3-d]pyrimidin-4-amine
CID 69411062
(3R,4R)-1-benzyl-N,4-dimethyl-N-[(5-methyl-1,2,4-oxadiazol-3-yl)methyl]piperidin-3-amine
CID 166601420
N-(1-benzylpyrrolidin-3-yl)-2-pyridin-2-yl-5,6,7,8-tetrahydropyrido[3,4-d]pyrimidin-4-amine
CID 56884802
N-methyl-N-(2-methyloxolan-3-yl)-5,6,7,8-tetrahydropyrido[4,3-d]pyrimidin-4-amine
CID 82740147
N-[2-[(3R)-1-benzylpyrrolidin-3-yl]ethyl]-2-methyl-5,6,7,8-tetrahydropyrido[3,4-d]pyrimidin-4-amine
CID 95219752
N-[(3R,4R)-1-benzyl-3-methylpiperidin-4-yl]-N-methyl-2-(2-oxopiperazin-1-yl)acetamide
CID 125146001
N-(1-benzylpiperidin-3-yl)-N-methyl-7H-pyrrolo[2,3-d]pyrimidin-4-amine
CID 78038889
1-benzyl-N-methylpiperidin-4-amine;N-(1-benzylpiperidin-4-yl)-N-methyl-7H-pyrrolo[2,3-d]pyrimidin-4-amine
CID 158999305

Frequently Asked Questions

What is the IUPAC name of N-(1-benzyl-4-methylpiperidin-3-yl)-N-methyl-5,6,7,8-tetrahydropyrido[3,4-d]pyrimidin-4-amine?
The IUPAC name of N-(1-benzyl-4-methylpiperidin-3-yl)-N-methyl-5,6,7,8-tetrahydropyrido[3,4-d]pyrimidin-4-amine (CID 146447998) is N-(1-benzyl-4-methylpiperidin-3-yl)-N-methyl-5,6,7,8-tetrahydropyrido[3,4-d]pyrimidin-4-amine.
What is the SMILES notation for N-(1-benzyl-4-methylpiperidin-3-yl)-N-methyl-5,6,7,8-tetrahydropyrido[3,4-d]pyrimidin-4-amine?
The canonical SMILES for N-(1-benzyl-4-methylpiperidin-3-yl)-N-methyl-5,6,7,8-tetrahydropyrido[3,4-d]pyrimidin-4-amine is CC1CCN(Cc2ccccc2)CC1N(C)c1ncnc2c1CCNC2.
What is the InChIKey of N-(1-benzyl-4-methylpiperidin-3-yl)-N-methyl-5,6,7,8-tetrahydropyrido[3,4-d]pyrimidin-4-amine?
The InChIKey is IPBLINHKNTXBQB-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H29N5/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/h3-7,15-16,20,22H,8-14H2,1-2H3.
What are the key properties of N-(1-benzyl-4-methylpiperidin-3-yl)-N-methyl-5,6,7,8-tetrahydropyrido[3,4-d]pyrimidin-4-amine?
N-(1-benzyl-4-methylpiperidin-3-yl)-N-methyl-5,6,7,8-tetrahydropyrido[3,4-d]pyrimidin-4-amine has a molecular weight of 351.50 g/mol, XLogP of 2.47, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1-benzyl-4-methylpiperidin-3-yl)-N-methyl-5,6,7,8-tetrahydropyrido[3,4-d]pyrimidin-4-amine is sourced from PubChem (CID 146447998), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).