7-benzyl-N,N-dimethyl-4-[4-(4-methylpiperazin-1-yl)piperidin-1-yl]-6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-2-amine

C26H39N7 — CID 71554424

IUPAC7-benzyl-N,N-dimethyl-4-[4-(4-methylpiperazin-1-yl)piperidin-1-yl]-6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-2-amine
SMILESCN1CCN(C2CCN(c3nc(N(C)C)nc4c3CCN(Cc3ccccc3)C4)CC2)CC1
InChIInChI=1S/C26H39N7/c1-29(2)26-27-24-20-31(19-21-7-5-4-6-8-21)12-11-23(24)25(28-26)33-13-9-22(10-14-33)32-17-15-30(3)16-18-32/h4-8,22H,9-20H2,1-3H3
InChIKeySCFDRVUZBOJHHU-UHFFFAOYSA-N
MW449.65 g/mol
LogP2.32
Rot. Bonds5

About 7-benzyl-N,N-dimethyl-4-[4-(4-methylpiperazin-1-yl)piperidin-1-yl]-6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-2-amine

7-benzyl-N,N-dimethyl-4-[4-(4-methylpiperazin-1-yl)piperidin-1-yl]-6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-2-amine (PubChem CID 71554424) has the molecular formula C26H39N7 and a molecular weight of 449.65 g/mol. Its IUPAC name is 7-benzyl-N,N-dimethyl-4-[4-(4-methylpiperazin-1-yl)piperidin-1-yl]-6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-2-amine.

Molecular Properties

Compound Name7-benzyl-N,N-dimethyl-4-[4-(4-methylpiperazin-1-yl)piperidin-1-yl]-6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-2-amine
PubChem CID71554424
Molecular FormulaC26H39N7
Molecular Weight449.65 g/mol
Exact Mass449.33
IUPAC Name7-benzyl-N,N-dimethyl-4-[4-(4-methylpiperazin-1-yl)piperidin-1-yl]-6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-2-amine
SMILESCN1CCN(C2CCN(c3nc(N(C)C)nc4c3CCN(Cc3ccccc3)C4)CC2)CC1
InChIInChI=1S/C26H39N7/c1-29(2)26-27-24-20-31(19-21-7-5-4-6-8-21)12-11-23(24)25(28-26)33-13-9-22(10-14-33)32-17-15-30(3)16-18-32/h4-8,22H,9-20H2,1-3H3
InChIKeySCFDRVUZBOJHHU-UHFFFAOYSA-N
XLogP2.32
TPSA41.98 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500449.65
LogP ≤ 52.32
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 7-benzyl-N,N-dimethyl-4-[4-(4-methylpiperazin-1-yl)piperidin-1-yl]-6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-2-amine?
The IUPAC name of 7-benzyl-N,N-dimethyl-4-[4-(4-methylpiperazin-1-yl)piperidin-1-yl]-6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-2-amine (CID 71554424) is 7-benzyl-N,N-dimethyl-4-[4-(4-methylpiperazin-1-yl)piperidin-1-yl]-6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-2-amine.
What is the SMILES notation for 7-benzyl-N,N-dimethyl-4-[4-(4-methylpiperazin-1-yl)piperidin-1-yl]-6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-2-amine?
The canonical SMILES for 7-benzyl-N,N-dimethyl-4-[4-(4-methylpiperazin-1-yl)piperidin-1-yl]-6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-2-amine is CN1CCN(C2CCN(c3nc(N(C)C)nc4c3CCN(Cc3ccccc3)C4)CC2)CC1.
What is the InChIKey of 7-benzyl-N,N-dimethyl-4-[4-(4-methylpiperazin-1-yl)piperidin-1-yl]-6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-2-amine?
The InChIKey is SCFDRVUZBOJHHU-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H39N7/c1-29(2)26-27-24-20-31(19-21-7-5-4-6-8-21)12-11-23(24)25(28-26)33-13-9-22(10-14-33)32-17-15-30(3)16-18-32/h4-8,22H,9-20H2,1-3H3.
What are the key properties of 7-benzyl-N,N-dimethyl-4-[4-(4-methylpiperazin-1-yl)piperidin-1-yl]-6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-2-amine?
7-benzyl-N,N-dimethyl-4-[4-(4-methylpiperazin-1-yl)piperidin-1-yl]-6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-2-amine has a molecular weight of 449.65 g/mol, XLogP of 2.32, 5 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 7-benzyl-N,N-dimethyl-4-[4-(4-methylpiperazin-1-yl)piperidin-1-yl]-6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-2-amine is sourced from PubChem (CID 71554424), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).