(4-tert-butylphenyl)-[4-(2-pyrrolidin-1-yl-5,7-dihydrofuro[3,4-d]pyrimidin-4-yl)piperazin-1-yl]methanone

C25H33N5O2 — CID 171357150

IUPAC(4-tert-butylphenyl)-[4-(2-pyrrolidin-1-yl-5,7-dihydrofuro[3,4-d]pyrimidin-4-yl)piperazin-1-yl]methanone
SMILESCC(C)(C)c1ccc(C(=O)N2CCN(c3nc(N4CCCC4)nc4c3COC4)CC2)cc1
InChIInChI=1S/C25H33N5O2/c1-25(2,3)19-8-6-18(7-9-19)23(31)29-14-12-28(13-15-29)22-20-16-32-17-21(20)26-24(27-22)30-10-4-5-11-30/h6-9H,4-5,10-17H2,1-3H3
InChIKeyQUZZFQIQBDHXAV-UHFFFAOYSA-N
MW435.57 g/mol
LogP3.37
Rot. Bonds3

About (4-tert-butylphenyl)-[4-(2-pyrrolidin-1-yl-5,7-dihydrofuro[3,4-d]pyrimidin-4-yl)piperazin-1-yl]methanone

(4-tert-butylphenyl)-[4-(2-pyrrolidin-1-yl-5,7-dihydrofuro[3,4-d]pyrimidin-4-yl)piperazin-1-yl]methanone (PubChem CID 171357150) has the molecular formula C25H33N5O2 and a molecular weight of 435.57 g/mol. Its IUPAC name is (4-tert-butylphenyl)-[4-(2-pyrrolidin-1-yl-5,7-dihydrofuro[3,4-d]pyrimidin-4-yl)piperazin-1-yl]methanone.

Molecular Properties

Compound Name(4-tert-butylphenyl)-[4-(2-pyrrolidin-1-yl-5,7-dihydrofuro[3,4-d]pyrimidin-4-yl)piperazin-1-yl]methanone
PubChem CID171357150
Molecular FormulaC25H33N5O2
Molecular Weight435.57 g/mol
Exact Mass435.26
IUPAC Name(4-tert-butylphenyl)-[4-(2-pyrrolidin-1-yl-5,7-dihydrofuro[3,4-d]pyrimidin-4-yl)piperazin-1-yl]methanone
SMILESCC(C)(C)c1ccc(C(=O)N2CCN(c3nc(N4CCCC4)nc4c3COC4)CC2)cc1
InChIInChI=1S/C25H33N5O2/c1-25(2,3)19-8-6-18(7-9-19)23(31)29-14-12-28(13-15-29)22-20-16-32-17-21(20)26-24(27-22)30-10-4-5-11-30/h6-9H,4-5,10-17H2,1-3H3
InChIKeyQUZZFQIQBDHXAV-UHFFFAOYSA-N
XLogP3.37
TPSA61.80 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500435.57
LogP ≤ 53.37
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of (4-tert-butylphenyl)-[4-(2-pyrrolidin-1-yl-5,7-dihydrofuro[3,4-d]pyrimidin-4-yl)piperazin-1-yl]methanone?
The IUPAC name of (4-tert-butylphenyl)-[4-(2-pyrrolidin-1-yl-5,7-dihydrofuro[3,4-d]pyrimidin-4-yl)piperazin-1-yl]methanone (CID 171357150) is (4-tert-butylphenyl)-[4-(2-pyrrolidin-1-yl-5,7-dihydrofuro[3,4-d]pyrimidin-4-yl)piperazin-1-yl]methanone.
What is the SMILES notation for (4-tert-butylphenyl)-[4-(2-pyrrolidin-1-yl-5,7-dihydrofuro[3,4-d]pyrimidin-4-yl)piperazin-1-yl]methanone?
The canonical SMILES for (4-tert-butylphenyl)-[4-(2-pyrrolidin-1-yl-5,7-dihydrofuro[3,4-d]pyrimidin-4-yl)piperazin-1-yl]methanone is CC(C)(C)c1ccc(C(=O)N2CCN(c3nc(N4CCCC4)nc4c3COC4)CC2)cc1.
What is the InChIKey of (4-tert-butylphenyl)-[4-(2-pyrrolidin-1-yl-5,7-dihydrofuro[3,4-d]pyrimidin-4-yl)piperazin-1-yl]methanone?
The InChIKey is QUZZFQIQBDHXAV-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H33N5O2/c1-25(2,3)19-8-6-18(7-9-19)23(31)29-14-12-28(13-15-29)22-20-16-32-17-21(20)26-24(27-22)30-10-4-5-11-30/h6-9H,4-5,10-17H2,1-3H3.
What are the key properties of (4-tert-butylphenyl)-[4-(2-pyrrolidin-1-yl-5,7-dihydrofuro[3,4-d]pyrimidin-4-yl)piperazin-1-yl]methanone?
(4-tert-butylphenyl)-[4-(2-pyrrolidin-1-yl-5,7-dihydrofuro[3,4-d]pyrimidin-4-yl)piperazin-1-yl]methanone has a molecular weight of 435.57 g/mol, XLogP of 3.37, 3 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (4-tert-butylphenyl)-[4-(2-pyrrolidin-1-yl-5,7-dihydrofuro[3,4-d]pyrimidin-4-yl)piperazin-1-yl]methanone is sourced from PubChem (CID 171357150), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).