2,4-dimethyl-6-[[4-(3-phenylpropyl)-1,4-diazepan-1-yl]methyl]-5,6-dihydrofuro[2,3-d]pyrimidine

C23H32N4O — CID 134705528

IUPAC2,4-dimethyl-6-[[4-(3-phenylpropyl)-1,4-diazepan-1-yl]methyl]-5,6-dihydrofuro[2,3-d]pyrimidine
SMILESCc1nc(C)c2c(n1)OC(CN1CCCN(CCCc3ccccc3)CC1)C2
InChIInChI=1S/C23H32N4O/c1-18-22-16-21(28-23(22)25-19(2)24-18)17-27-13-7-12-26(14-15-27)11-6-10-20-8-4-3-5-9-20/h3-5,8-9,21H,6-7,10-17H2,1-2H3
InChIKeyYSCJMSZNZNRNGE-UHFFFAOYSA-N
MW380.54 g/mol
LogP3.04
Rot. Bonds6

About 2,4-dimethyl-6-[[4-(3-phenylpropyl)-1,4-diazepan-1-yl]methyl]-5,6-dihydrofuro[2,3-d]pyrimidine

2,4-dimethyl-6-[[4-(3-phenylpropyl)-1,4-diazepan-1-yl]methyl]-5,6-dihydrofuro[2,3-d]pyrimidine (PubChem CID 134705528) has the molecular formula C23H32N4O and a molecular weight of 380.54 g/mol. Its IUPAC name is 2,4-dimethyl-6-[[4-(3-phenylpropyl)-1,4-diazepan-1-yl]methyl]-5,6-dihydrofuro[2,3-d]pyrimidine.

Molecular Properties

Compound Name2,4-dimethyl-6-[[4-(3-phenylpropyl)-1,4-diazepan-1-yl]methyl]-5,6-dihydrofuro[2,3-d]pyrimidine
PubChem CID134705528
Molecular FormulaC23H32N4O
Molecular Weight380.54 g/mol
Exact Mass380.26
IUPAC Name2,4-dimethyl-6-[[4-(3-phenylpropyl)-1,4-diazepan-1-yl]methyl]-5,6-dihydrofuro[2,3-d]pyrimidine
SMILESCc1nc(C)c2c(n1)OC(CN1CCCN(CCCc3ccccc3)CC1)C2
InChIInChI=1S/C23H32N4O/c1-18-22-16-21(28-23(22)25-19(2)24-18)17-27-13-7-12-26(14-15-27)11-6-10-20-8-4-3-5-9-20/h3-5,8-9,21H,6-7,10-17H2,1-2H3
InChIKeyYSCJMSZNZNRNGE-UHFFFAOYSA-N
XLogP3.04
TPSA41.49 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500380.54
LogP ≤ 53.04
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2,4-dimethyl-6-[[4-(3-phenylpropyl)-1,4-diazepan-1-yl]methyl]-5,6-dihydrofuro[2,3-d]pyrimidine?
The IUPAC name of 2,4-dimethyl-6-[[4-(3-phenylpropyl)-1,4-diazepan-1-yl]methyl]-5,6-dihydrofuro[2,3-d]pyrimidine (CID 134705528) is 2,4-dimethyl-6-[[4-(3-phenylpropyl)-1,4-diazepan-1-yl]methyl]-5,6-dihydrofuro[2,3-d]pyrimidine.
What is the SMILES notation for 2,4-dimethyl-6-[[4-(3-phenylpropyl)-1,4-diazepan-1-yl]methyl]-5,6-dihydrofuro[2,3-d]pyrimidine?
The canonical SMILES for 2,4-dimethyl-6-[[4-(3-phenylpropyl)-1,4-diazepan-1-yl]methyl]-5,6-dihydrofuro[2,3-d]pyrimidine is Cc1nc(C)c2c(n1)OC(CN1CCCN(CCCc3ccccc3)CC1)C2.
What is the InChIKey of 2,4-dimethyl-6-[[4-(3-phenylpropyl)-1,4-diazepan-1-yl]methyl]-5,6-dihydrofuro[2,3-d]pyrimidine?
The InChIKey is YSCJMSZNZNRNGE-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H32N4O/c1-18-22-16-21(28-23(22)25-19(2)24-18)17-27-13-7-12-26(14-15-27)11-6-10-20-8-4-3-5-9-20/h3-5,8-9,21H,6-7,10-17H2,1-2H3.
What are the key properties of 2,4-dimethyl-6-[[4-(3-phenylpropyl)-1,4-diazepan-1-yl]methyl]-5,6-dihydrofuro[2,3-d]pyrimidine?
2,4-dimethyl-6-[[4-(3-phenylpropyl)-1,4-diazepan-1-yl]methyl]-5,6-dihydrofuro[2,3-d]pyrimidine has a molecular weight of 380.54 g/mol, XLogP of 3.04, 6 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2,4-dimethyl-6-[[4-(3-phenylpropyl)-1,4-diazepan-1-yl]methyl]-5,6-dihydrofuro[2,3-d]pyrimidine is sourced from PubChem (CID 134705528), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).