7-benzyl-N-(furan-2-ylmethyl)-2-methyl-N-(oxolan-2-ylmethyl)-6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-4-amine

C25H30N4O2 — CID 110214334

IUPAC7-benzyl-N-(furan-2-ylmethyl)-2-methyl-N-(oxolan-2-ylmethyl)-6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-4-amine
SMILESCc1nc2c(c(N(Cc3ccco3)CC3CCCO3)n1)CCN(Cc1ccccc1)C2
InChIInChI=1S/C25H30N4O2/c1-19-26-24-18-28(15-20-7-3-2-4-8-20)12-11-23(24)25(27-19)29(16-21-9-5-13-30-21)17-22-10-6-14-31-22/h2-5,7-9,13,22H,6,10-12,14-18H2,1H3
InChIKeyZJBYOOHFDBFAHD-UHFFFAOYSA-N
MW418.54 g/mol
LogP4.12
Rot. Bonds7

About 7-benzyl-N-(furan-2-ylmethyl)-2-methyl-N-(oxolan-2-ylmethyl)-6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-4-amine

7-benzyl-N-(furan-2-ylmethyl)-2-methyl-N-(oxolan-2-ylmethyl)-6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-4-amine (PubChem CID 110214334) has the molecular formula C25H30N4O2 and a molecular weight of 418.54 g/mol. Its IUPAC name is 7-benzyl-N-(furan-2-ylmethyl)-2-methyl-N-(oxolan-2-ylmethyl)-6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-4-amine.

Molecular Properties

Compound Name7-benzyl-N-(furan-2-ylmethyl)-2-methyl-N-(oxolan-2-ylmethyl)-6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-4-amine
PubChem CID110214334
Molecular FormulaC25H30N4O2
Molecular Weight418.54 g/mol
Exact Mass418.24
IUPAC Name7-benzyl-N-(furan-2-ylmethyl)-2-methyl-N-(oxolan-2-ylmethyl)-6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-4-amine
SMILESCc1nc2c(c(N(Cc3ccco3)CC3CCCO3)n1)CCN(Cc1ccccc1)C2
InChIInChI=1S/C25H30N4O2/c1-19-26-24-18-28(15-20-7-3-2-4-8-20)12-11-23(24)25(27-19)29(16-21-9-5-13-30-21)17-22-10-6-14-31-22/h2-5,7-9,13,22H,6,10-12,14-18H2,1H3
InChIKeyZJBYOOHFDBFAHD-UHFFFAOYSA-N
XLogP4.12
TPSA54.63 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500418.54
LogP ≤ 54.12
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 7-benzyl-N-(furan-2-ylmethyl)-2-methyl-N-(oxolan-2-ylmethyl)-6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-4-amine?
The IUPAC name of 7-benzyl-N-(furan-2-ylmethyl)-2-methyl-N-(oxolan-2-ylmethyl)-6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-4-amine (CID 110214334) is 7-benzyl-N-(furan-2-ylmethyl)-2-methyl-N-(oxolan-2-ylmethyl)-6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-4-amine.
What is the SMILES notation for 7-benzyl-N-(furan-2-ylmethyl)-2-methyl-N-(oxolan-2-ylmethyl)-6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-4-amine?
The canonical SMILES for 7-benzyl-N-(furan-2-ylmethyl)-2-methyl-N-(oxolan-2-ylmethyl)-6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-4-amine is Cc1nc2c(c(N(Cc3ccco3)CC3CCCO3)n1)CCN(Cc1ccccc1)C2.
What is the InChIKey of 7-benzyl-N-(furan-2-ylmethyl)-2-methyl-N-(oxolan-2-ylmethyl)-6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-4-amine?
The InChIKey is ZJBYOOHFDBFAHD-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H30N4O2/c1-19-26-24-18-28(15-20-7-3-2-4-8-20)12-11-23(24)25(27-19)29(16-21-9-5-13-30-21)17-22-10-6-14-31-22/h2-5,7-9,13,22H,6,10-12,14-18H2,1H3.
What are the key properties of 7-benzyl-N-(furan-2-ylmethyl)-2-methyl-N-(oxolan-2-ylmethyl)-6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-4-amine?
7-benzyl-N-(furan-2-ylmethyl)-2-methyl-N-(oxolan-2-ylmethyl)-6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-4-amine has a molecular weight of 418.54 g/mol, XLogP of 4.12, 7 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 7-benzyl-N-(furan-2-ylmethyl)-2-methyl-N-(oxolan-2-ylmethyl)-6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-4-amine is sourced from PubChem (CID 110214334), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).