1-benzylpiperidine;7-methylpyrrolo[2,3-d]pyrimidin-4-amine

C19H25N5 — CID 156732671

IUPAC1-benzylpiperidine;7-methylpyrrolo[2,3-d]pyrimidin-4-amine
SMILESCn1ccc2c(N)ncnc21.c1ccc(CN2CCCCC2)cc1
InChIInChI=1S/C12H17N.C7H8N4/c1-3-7-12(8-4-1)11-13-9-5-2-6-10-13;1-11-3-2-5-6(8)9-4-10-7(5)11/h1,3-4,7-8H,2,5-6,9-11H2;2-4H,1H3,(H2,8,9,10)
InChIKeyFQQMOPKLGSECIR-UHFFFAOYSA-N
MW323.44 g/mol
LogP3.22
Rot. Bonds2

About 1-benzylpiperidine;7-methylpyrrolo[2,3-d]pyrimidin-4-amine

1-benzylpiperidine;7-methylpyrrolo[2,3-d]pyrimidin-4-amine (PubChem CID 156732671) has the molecular formula C19H25N5 and a molecular weight of 323.44 g/mol. Its IUPAC name is 1-benzylpiperidine;7-methylpyrrolo[2,3-d]pyrimidin-4-amine.

Molecular Properties

Compound Name1-benzylpiperidine;7-methylpyrrolo[2,3-d]pyrimidin-4-amine
PubChem CID156732671
Molecular FormulaC19H25N5
Molecular Weight323.44 g/mol
Exact Mass323.21
IUPAC Name1-benzylpiperidine;7-methylpyrrolo[2,3-d]pyrimidin-4-amine
SMILESCn1ccc2c(N)ncnc21.c1ccc(CN2CCCCC2)cc1
InChIInChI=1S/C12H17N.C7H8N4/c1-3-7-12(8-4-1)11-13-9-5-2-6-10-13;1-11-3-2-5-6(8)9-4-10-7(5)11/h1,3-4,7-8H,2,5-6,9-11H2;2-4H,1H3,(H2,8,9,10)
InChIKeyFQQMOPKLGSECIR-UHFFFAOYSA-N
XLogP3.22
TPSA59.97 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500323.44
LogP ≤ 53.22
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

1-benzylazepane
CID 10954328
N-benzyl-1-phenylmethanamine;1-benzylpiperidine
CID 123620397
1-(1-benzylpiperidin-4-yl)pyrazolo[3,4-d]pyrimidin-4-amine
CID 141103907
1-benzylpyrrolidine;propane
CID 143692089
4-(4-benzylpiperazin-1-yl)-6-pyrrolidin-1-ylpyrimidin-5-amine
CID 19137255
4-(4-benzyl-1,4-diazepan-1-yl)-1-methylpyrazolo[5,4-d]pyrimidine
CID 26021234
1-[6-(4-benzylpiperazin-1-yl)pyrimidin-4-yl]azepane
CID 112862175
1-(2-piperidin-1-ylethyl)pyrazolo[3,4-d]pyrimidin-4-amine
CID 71226198
1,4,7,10-tetrabenzyl-1,4,7,10-tetrazacyclododecane
CID 160853215
1-(2-pyrrolidin-1-ylethyl)pyrazolo[3,4-d]pyrimidin-4-amine
CID 141177025
1-benzyl-4-methylpiperazine;methanamine
CID 174694163
1-(1-benzylpiperidin-3-yl)-3-(4-methylphenyl)pyrazolo[3,4-d]pyrimidin-4-amine
CID 90446756

Frequently Asked Questions

What is the IUPAC name of 1-benzylpiperidine;7-methylpyrrolo[2,3-d]pyrimidin-4-amine?
The IUPAC name of 1-benzylpiperidine;7-methylpyrrolo[2,3-d]pyrimidin-4-amine (CID 156732671) is 1-benzylpiperidine;7-methylpyrrolo[2,3-d]pyrimidin-4-amine.
What is the SMILES notation for 1-benzylpiperidine;7-methylpyrrolo[2,3-d]pyrimidin-4-amine?
The canonical SMILES for 1-benzylpiperidine;7-methylpyrrolo[2,3-d]pyrimidin-4-amine is Cn1ccc2c(N)ncnc21.c1ccc(CN2CCCCC2)cc1.
What is the InChIKey of 1-benzylpiperidine;7-methylpyrrolo[2,3-d]pyrimidin-4-amine?
The InChIKey is FQQMOPKLGSECIR-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H17N.C7H8N4/c1-3-7-12(8-4-1)11-13-9-5-2-6-10-13;1-11-3-2-5-6(8)9-4-10-7(5)11/h1,3-4,7-8H,2,5-6,9-11H2;2-4H,1H3,(H2,8,9,10).
What are the key properties of 1-benzylpiperidine;7-methylpyrrolo[2,3-d]pyrimidin-4-amine?
1-benzylpiperidine;7-methylpyrrolo[2,3-d]pyrimidin-4-amine has a molecular weight of 323.44 g/mol, XLogP of 3.22, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-benzylpiperidine;7-methylpyrrolo[2,3-d]pyrimidin-4-amine is sourced from PubChem (CID 156732671), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).