N-(1-methylimidazol-4-yl)-2-(2-phenylpyrrolidin-1-yl)furo[3,2-d]pyrimidin-4-amine

C20H20N6O — CID 142498070

IUPACN-(1-methylimidazol-4-yl)-2-(2-phenylpyrrolidin-1-yl)furo[3,2-d]pyrimidin-4-amine
SMILESCn1cnc(Nc2nc(N3CCCC3c3ccccc3)nc3ccoc23)c1
InChIInChI=1S/C20H20N6O/c1-25-12-17(21-13-25)23-19-18-15(9-11-27-18)22-20(24-19)26-10-5-8-16(26)14-6-3-2-4-7-14/h2-4,6-7,9,11-13,16H,5,8,10H2,1H3,(H,22,23,24)
InChIKeySZZRIYUXXQGIPI-UHFFFAOYSA-N
MW360.42 g/mol
LogP4.04
Rot. Bonds4

About N-(1-methylimidazol-4-yl)-2-(2-phenylpyrrolidin-1-yl)furo[3,2-d]pyrimidin-4-amine

N-(1-methylimidazol-4-yl)-2-(2-phenylpyrrolidin-1-yl)furo[3,2-d]pyrimidin-4-amine (PubChem CID 142498070) has the molecular formula C20H20N6O and a molecular weight of 360.42 g/mol. Its IUPAC name is N-(1-methylimidazol-4-yl)-2-(2-phenylpyrrolidin-1-yl)furo[3,2-d]pyrimidin-4-amine.

Molecular Properties

Compound NameN-(1-methylimidazol-4-yl)-2-(2-phenylpyrrolidin-1-yl)furo[3,2-d]pyrimidin-4-amine
PubChem CID142498070
Molecular FormulaC20H20N6O
Molecular Weight360.42 g/mol
Exact Mass360.17
IUPAC NameN-(1-methylimidazol-4-yl)-2-(2-phenylpyrrolidin-1-yl)furo[3,2-d]pyrimidin-4-amine
SMILESCn1cnc(Nc2nc(N3CCCC3c3ccccc3)nc3ccoc23)c1
InChIInChI=1S/C20H20N6O/c1-25-12-17(21-13-25)23-19-18-15(9-11-27-18)22-20(24-19)26-10-5-8-16(26)14-6-3-2-4-7-14/h2-4,6-7,9,11-13,16H,5,8,10H2,1H3,(H,22,23,24)
InChIKeySZZRIYUXXQGIPI-UHFFFAOYSA-N
XLogP4.04
TPSA72.01 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500360.42
LogP ≤ 54.04
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of N-(1-methylimidazol-4-yl)-2-(2-phenylpyrrolidin-1-yl)furo[3,2-d]pyrimidin-4-amine?
The IUPAC name of N-(1-methylimidazol-4-yl)-2-(2-phenylpyrrolidin-1-yl)furo[3,2-d]pyrimidin-4-amine (CID 142498070) is N-(1-methylimidazol-4-yl)-2-(2-phenylpyrrolidin-1-yl)furo[3,2-d]pyrimidin-4-amine.
What is the SMILES notation for N-(1-methylimidazol-4-yl)-2-(2-phenylpyrrolidin-1-yl)furo[3,2-d]pyrimidin-4-amine?
The canonical SMILES for N-(1-methylimidazol-4-yl)-2-(2-phenylpyrrolidin-1-yl)furo[3,2-d]pyrimidin-4-amine is Cn1cnc(Nc2nc(N3CCCC3c3ccccc3)nc3ccoc23)c1.
What is the InChIKey of N-(1-methylimidazol-4-yl)-2-(2-phenylpyrrolidin-1-yl)furo[3,2-d]pyrimidin-4-amine?
The InChIKey is SZZRIYUXXQGIPI-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H20N6O/c1-25-12-17(21-13-25)23-19-18-15(9-11-27-18)22-20(24-19)26-10-5-8-16(26)14-6-3-2-4-7-14/h2-4,6-7,9,11-13,16H,5,8,10H2,1H3,(H,22,23,24).
What are the key properties of N-(1-methylimidazol-4-yl)-2-(2-phenylpyrrolidin-1-yl)furo[3,2-d]pyrimidin-4-amine?
N-(1-methylimidazol-4-yl)-2-(2-phenylpyrrolidin-1-yl)furo[3,2-d]pyrimidin-4-amine has a molecular weight of 360.42 g/mol, XLogP of 4.04, 4 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1-methylimidazol-4-yl)-2-(2-phenylpyrrolidin-1-yl)furo[3,2-d]pyrimidin-4-amine is sourced from PubChem (CID 142498070), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).