7-[(3-cyclopentyloxyphenyl)methyl]-N-methyl-2-pyrrolidin-3-yl-6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-4-amine

C24H33N5O — CID 127251927

IUPAC7-[(3-cyclopentyloxyphenyl)methyl]-N-methyl-2-pyrrolidin-3-yl-6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-4-amine
SMILESCNc1nc(C2CCNC2)nc2c1CCN(Cc1cccc(OC3CCCC3)c1)C2
InChIInChI=1S/C24H33N5O/c1-25-24-21-10-12-29(16-22(21)27-23(28-24)18-9-11-26-14-18)15-17-5-4-8-20(13-17)30-19-6-2-3-7-19/h4-5,8,13,18-19,26H,2-3,6-7,9-12,14-16H2,1H3,(H,25,27,28)
InChIKeyONIXWTSULVMBQA-UHFFFAOYSA-N
MW407.56 g/mol
LogP3.47
Rot. Bonds6

About 7-[(3-cyclopentyloxyphenyl)methyl]-N-methyl-2-pyrrolidin-3-yl-6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-4-amine

7-[(3-cyclopentyloxyphenyl)methyl]-N-methyl-2-pyrrolidin-3-yl-6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-4-amine (PubChem CID 127251927) has the molecular formula C24H33N5O and a molecular weight of 407.56 g/mol. Its IUPAC name is 7-[(3-cyclopentyloxyphenyl)methyl]-N-methyl-2-pyrrolidin-3-yl-6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-4-amine.

Molecular Properties

Compound Name7-[(3-cyclopentyloxyphenyl)methyl]-N-methyl-2-pyrrolidin-3-yl-6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-4-amine
PubChem CID127251927
Molecular FormulaC24H33N5O
Molecular Weight407.56 g/mol
Exact Mass407.27
IUPAC Name7-[(3-cyclopentyloxyphenyl)methyl]-N-methyl-2-pyrrolidin-3-yl-6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-4-amine
SMILESCNc1nc(C2CCNC2)nc2c1CCN(Cc1cccc(OC3CCCC3)c1)C2
InChIInChI=1S/C24H33N5O/c1-25-24-21-10-12-29(16-22(21)27-23(28-24)18-9-11-26-14-18)15-17-5-4-8-20(13-17)30-19-6-2-3-7-19/h4-5,8,13,18-19,26H,2-3,6-7,9-12,14-16H2,1H3,(H,25,27,28)
InChIKeyONIXWTSULVMBQA-UHFFFAOYSA-N
XLogP3.47
TPSA62.31 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500407.56
LogP ≤ 53.47
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 7-[(3-cyclopentyloxyphenyl)methyl]-N-methyl-2-pyrrolidin-3-yl-6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-4-amine?
The IUPAC name of 7-[(3-cyclopentyloxyphenyl)methyl]-N-methyl-2-pyrrolidin-3-yl-6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-4-amine (CID 127251927) is 7-[(3-cyclopentyloxyphenyl)methyl]-N-methyl-2-pyrrolidin-3-yl-6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-4-amine.
What is the SMILES notation for 7-[(3-cyclopentyloxyphenyl)methyl]-N-methyl-2-pyrrolidin-3-yl-6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-4-amine?
The canonical SMILES for 7-[(3-cyclopentyloxyphenyl)methyl]-N-methyl-2-pyrrolidin-3-yl-6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-4-amine is CNc1nc(C2CCNC2)nc2c1CCN(Cc1cccc(OC3CCCC3)c1)C2.
What is the InChIKey of 7-[(3-cyclopentyloxyphenyl)methyl]-N-methyl-2-pyrrolidin-3-yl-6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-4-amine?
The InChIKey is ONIXWTSULVMBQA-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H33N5O/c1-25-24-21-10-12-29(16-22(21)27-23(28-24)18-9-11-26-14-18)15-17-5-4-8-20(13-17)30-19-6-2-3-7-19/h4-5,8,13,18-19,26H,2-3,6-7,9-12,14-16H2,1H3,(H,25,27,28).
What are the key properties of 7-[(3-cyclopentyloxyphenyl)methyl]-N-methyl-2-pyrrolidin-3-yl-6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-4-amine?
7-[(3-cyclopentyloxyphenyl)methyl]-N-methyl-2-pyrrolidin-3-yl-6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-4-amine has a molecular weight of 407.56 g/mol, XLogP of 3.47, 6 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 7-[(3-cyclopentyloxyphenyl)methyl]-N-methyl-2-pyrrolidin-3-yl-6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-4-amine is sourced from PubChem (CID 127251927), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).