butane;ethane;4-(4-methylpiperazin-1-yl)-7-[(6-methyl-2-pyridinyl)methyl]-6,8-dihydro-5H-pyrido[3,4-d]pyrimidine

C25H42N6 — CID 143595660

IUPACbutane;ethane;4-(4-methylpiperazin-1-yl)-7-[(6-methyl-2-pyridinyl)methyl]-6,8-dihydro-5H-pyrido[3,4-d]pyrimidine
SMILESCC.CCCC.Cc1cccc(CN2CCc3c(ncnc3N3CCN(C)CC3)C2)n1
InChIInChI=1S/C19H26N6.C4H10.C2H6/c1-15-4-3-5-16(22-15)12-24-7-6-17-18(13-24)20-14-21-19(17)25-10-8-23(2)9-11-25;1-3-4-2;1-2/h3-5,14H,6-13H2,1-2H3;3-4H2,1-2H3;1-2H3
InChIKeyAFQUGNQLRDUKPG-UHFFFAOYSA-N
MW426.65 g/mol
LogP4.32
Rot. Bonds4

About butane;ethane;4-(4-methylpiperazin-1-yl)-7-[(6-methyl-2-pyridinyl)methyl]-6,8-dihydro-5H-pyrido[3,4-d]pyrimidine

butane;ethane;4-(4-methylpiperazin-1-yl)-7-[(6-methyl-2-pyridinyl)methyl]-6,8-dihydro-5H-pyrido[3,4-d]pyrimidine (PubChem CID 143595660) has the molecular formula C25H42N6 and a molecular weight of 426.65 g/mol. Its IUPAC name is butane;ethane;4-(4-methylpiperazin-1-yl)-7-[(6-methyl-2-pyridinyl)methyl]-6,8-dihydro-5H-pyrido[3,4-d]pyrimidine.

Molecular Properties

Compound Namebutane;ethane;4-(4-methylpiperazin-1-yl)-7-[(6-methyl-2-pyridinyl)methyl]-6,8-dihydro-5H-pyrido[3,4-d]pyrimidine
PubChem CID143595660
Molecular FormulaC25H42N6
Molecular Weight426.65 g/mol
Exact Mass426.35
IUPAC Namebutane;ethane;4-(4-methylpiperazin-1-yl)-7-[(6-methyl-2-pyridinyl)methyl]-6,8-dihydro-5H-pyrido[3,4-d]pyrimidine
SMILESCC.CCCC.Cc1cccc(CN2CCc3c(ncnc3N3CCN(C)CC3)C2)n1
InChIInChI=1S/C19H26N6.C4H10.C2H6/c1-15-4-3-5-16(22-15)12-24-7-6-17-18(13-24)20-14-21-19(17)25-10-8-23(2)9-11-25;1-3-4-2;1-2/h3-5,14H,6-13H2,1-2H3;3-4H2,1-2H3;1-2H3
InChIKeyAFQUGNQLRDUKPG-UHFFFAOYSA-N
XLogP4.32
TPSA48.39 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500426.65
LogP ≤ 54.32
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of butane;ethane;4-(4-methylpiperazin-1-yl)-7-[(6-methyl-2-pyridinyl)methyl]-6,8-dihydro-5H-pyrido[3,4-d]pyrimidine?
The IUPAC name of butane;ethane;4-(4-methylpiperazin-1-yl)-7-[(6-methyl-2-pyridinyl)methyl]-6,8-dihydro-5H-pyrido[3,4-d]pyrimidine (CID 143595660) is butane;ethane;4-(4-methylpiperazin-1-yl)-7-[(6-methyl-2-pyridinyl)methyl]-6,8-dihydro-5H-pyrido[3,4-d]pyrimidine.
What is the SMILES notation for butane;ethane;4-(4-methylpiperazin-1-yl)-7-[(6-methyl-2-pyridinyl)methyl]-6,8-dihydro-5H-pyrido[3,4-d]pyrimidine?
The canonical SMILES for butane;ethane;4-(4-methylpiperazin-1-yl)-7-[(6-methyl-2-pyridinyl)methyl]-6,8-dihydro-5H-pyrido[3,4-d]pyrimidine is CC.CCCC.Cc1cccc(CN2CCc3c(ncnc3N3CCN(C)CC3)C2)n1.
What is the InChIKey of butane;ethane;4-(4-methylpiperazin-1-yl)-7-[(6-methyl-2-pyridinyl)methyl]-6,8-dihydro-5H-pyrido[3,4-d]pyrimidine?
The InChIKey is AFQUGNQLRDUKPG-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H26N6.C4H10.C2H6/c1-15-4-3-5-16(22-15)12-24-7-6-17-18(13-24)20-14-21-19(17)25-10-8-23(2)9-11-25;1-3-4-2;1-2/h3-5,14H,6-13H2,1-2H3;3-4H2,1-2H3;1-2H3.
What are the key properties of butane;ethane;4-(4-methylpiperazin-1-yl)-7-[(6-methyl-2-pyridinyl)methyl]-6,8-dihydro-5H-pyrido[3,4-d]pyrimidine?
butane;ethane;4-(4-methylpiperazin-1-yl)-7-[(6-methyl-2-pyridinyl)methyl]-6,8-dihydro-5H-pyrido[3,4-d]pyrimidine has a molecular weight of 426.65 g/mol, XLogP of 4.32, 4 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for butane;ethane;4-(4-methylpiperazin-1-yl)-7-[(6-methyl-2-pyridinyl)methyl]-6,8-dihydro-5H-pyrido[3,4-d]pyrimidine is sourced from PubChem (CID 143595660), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).