4-(4-butan-2-ylpiperazin-1-yl)-7-(2-methylbutyl)-6,8-dihydro-5H-pyrido[3,4-d]pyrimidine

C20H35N5 — CID 143595224

IUPAC4-(4-butan-2-ylpiperazin-1-yl)-7-(2-methylbutyl)-6,8-dihydro-5H-pyrido[3,4-d]pyrimidine
SMILESCCC(C)CN1CCc2c(ncnc2N2CCN(C(C)CC)CC2)C1
InChIInChI=1S/C20H35N5/c1-5-16(3)13-23-8-7-18-19(14-23)21-15-22-20(18)25-11-9-24(10-12-25)17(4)6-2/h15-17H,5-14H2,1-4H3
InChIKeyBZPSUZSNQCVVDE-UHFFFAOYSA-N
MW345.54 g/mol
LogP2.80
Rot. Bonds6

About 4-(4-butan-2-ylpiperazin-1-yl)-7-(2-methylbutyl)-6,8-dihydro-5H-pyrido[3,4-d]pyrimidine

4-(4-butan-2-ylpiperazin-1-yl)-7-(2-methylbutyl)-6,8-dihydro-5H-pyrido[3,4-d]pyrimidine (PubChem CID 143595224) has the molecular formula C20H35N5 and a molecular weight of 345.54 g/mol. Its IUPAC name is 4-(4-butan-2-ylpiperazin-1-yl)-7-(2-methylbutyl)-6,8-dihydro-5H-pyrido[3,4-d]pyrimidine.

Molecular Properties

Compound Name4-(4-butan-2-ylpiperazin-1-yl)-7-(2-methylbutyl)-6,8-dihydro-5H-pyrido[3,4-d]pyrimidine
PubChem CID143595224
Molecular FormulaC20H35N5
Molecular Weight345.54 g/mol
Exact Mass345.29
IUPAC Name4-(4-butan-2-ylpiperazin-1-yl)-7-(2-methylbutyl)-6,8-dihydro-5H-pyrido[3,4-d]pyrimidine
SMILESCCC(C)CN1CCc2c(ncnc2N2CCN(C(C)CC)CC2)C1
InChIInChI=1S/C20H35N5/c1-5-16(3)13-23-8-7-18-19(14-23)21-15-22-20(18)25-11-9-24(10-12-25)17(4)6-2/h15-17H,5-14H2,1-4H3
InChIKeyBZPSUZSNQCVVDE-UHFFFAOYSA-N
XLogP2.80
TPSA35.50 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500345.54
LogP ≤ 52.80
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 4-(4-butan-2-ylpiperazin-1-yl)-7-(2-methylbutyl)-6,8-dihydro-5H-pyrido[3,4-d]pyrimidine?
The IUPAC name of 4-(4-butan-2-ylpiperazin-1-yl)-7-(2-methylbutyl)-6,8-dihydro-5H-pyrido[3,4-d]pyrimidine (CID 143595224) is 4-(4-butan-2-ylpiperazin-1-yl)-7-(2-methylbutyl)-6,8-dihydro-5H-pyrido[3,4-d]pyrimidine.
What is the SMILES notation for 4-(4-butan-2-ylpiperazin-1-yl)-7-(2-methylbutyl)-6,8-dihydro-5H-pyrido[3,4-d]pyrimidine?
The canonical SMILES for 4-(4-butan-2-ylpiperazin-1-yl)-7-(2-methylbutyl)-6,8-dihydro-5H-pyrido[3,4-d]pyrimidine is CCC(C)CN1CCc2c(ncnc2N2CCN(C(C)CC)CC2)C1.
What is the InChIKey of 4-(4-butan-2-ylpiperazin-1-yl)-7-(2-methylbutyl)-6,8-dihydro-5H-pyrido[3,4-d]pyrimidine?
The InChIKey is BZPSUZSNQCVVDE-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H35N5/c1-5-16(3)13-23-8-7-18-19(14-23)21-15-22-20(18)25-11-9-24(10-12-25)17(4)6-2/h15-17H,5-14H2,1-4H3.
What are the key properties of 4-(4-butan-2-ylpiperazin-1-yl)-7-(2-methylbutyl)-6,8-dihydro-5H-pyrido[3,4-d]pyrimidine?
4-(4-butan-2-ylpiperazin-1-yl)-7-(2-methylbutyl)-6,8-dihydro-5H-pyrido[3,4-d]pyrimidine has a molecular weight of 345.54 g/mol, XLogP of 2.80, 6 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(4-butan-2-ylpiperazin-1-yl)-7-(2-methylbutyl)-6,8-dihydro-5H-pyrido[3,4-d]pyrimidine is sourced from PubChem (CID 143595224), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).