N-(6-fluoro-3,4-dihydro-2H-chromen-4-yl)-2-pyridin-4-yl-6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-amine

C21H19FN4O — CID 133295801

IUPACN-(6-fluoro-3,4-dihydro-2H-chromen-4-yl)-2-pyridin-4-yl-6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-amine
SMILESFc1ccc2c(c1)C(Nc1nc(-c3ccncc3)nc3c1CCC3)CCO2
InChIInChI=1S/C21H19FN4O/c22-14-4-5-19-16(12-14)18(8-11-27-19)25-21-15-2-1-3-17(15)24-20(26-21)13-6-9-23-10-7-13/h4-7,9-10,12,18H,1-3,8,11H2,(H,24,25,26)
InChIKeyQUKSXNWUOAAWKQ-UHFFFAOYSA-N
MW362.41 g/mol
LogP4.10
Rot. Bonds3

About N-(6-fluoro-3,4-dihydro-2H-chromen-4-yl)-2-pyridin-4-yl-6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-amine

N-(6-fluoro-3,4-dihydro-2H-chromen-4-yl)-2-pyridin-4-yl-6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-amine (PubChem CID 133295801) has the molecular formula C21H19FN4O and a molecular weight of 362.41 g/mol. Its IUPAC name is N-(6-fluoro-3,4-dihydro-2H-chromen-4-yl)-2-pyridin-4-yl-6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-amine.

Molecular Properties

Compound NameN-(6-fluoro-3,4-dihydro-2H-chromen-4-yl)-2-pyridin-4-yl-6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-amine
PubChem CID133295801
Molecular FormulaC21H19FN4O
Molecular Weight362.41 g/mol
Exact Mass362.15
IUPAC NameN-(6-fluoro-3,4-dihydro-2H-chromen-4-yl)-2-pyridin-4-yl-6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-amine
SMILESFc1ccc2c(c1)C(Nc1nc(-c3ccncc3)nc3c1CCC3)CCO2
InChIInChI=1S/C21H19FN4O/c22-14-4-5-19-16(12-14)18(8-11-27-19)25-21-15-2-1-3-17(15)24-20(26-21)13-6-9-23-10-7-13/h4-7,9-10,12,18H,1-3,8,11H2,(H,24,25,26)
InChIKeyQUKSXNWUOAAWKQ-UHFFFAOYSA-N
XLogP4.10
TPSA59.93 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500362.41
LogP ≤ 54.10
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-(6-fluoro-3,4-dihydro-2H-chromen-4-yl)-2-pyridin-4-yl-6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-amine?
The IUPAC name of N-(6-fluoro-3,4-dihydro-2H-chromen-4-yl)-2-pyridin-4-yl-6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-amine (CID 133295801) is N-(6-fluoro-3,4-dihydro-2H-chromen-4-yl)-2-pyridin-4-yl-6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-amine.
What is the SMILES notation for N-(6-fluoro-3,4-dihydro-2H-chromen-4-yl)-2-pyridin-4-yl-6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-amine?
The canonical SMILES for N-(6-fluoro-3,4-dihydro-2H-chromen-4-yl)-2-pyridin-4-yl-6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-amine is Fc1ccc2c(c1)C(Nc1nc(-c3ccncc3)nc3c1CCC3)CCO2.
What is the InChIKey of N-(6-fluoro-3,4-dihydro-2H-chromen-4-yl)-2-pyridin-4-yl-6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-amine?
The InChIKey is QUKSXNWUOAAWKQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H19FN4O/c22-14-4-5-19-16(12-14)18(8-11-27-19)25-21-15-2-1-3-17(15)24-20(26-21)13-6-9-23-10-7-13/h4-7,9-10,12,18H,1-3,8,11H2,(H,24,25,26).
What are the key properties of N-(6-fluoro-3,4-dihydro-2H-chromen-4-yl)-2-pyridin-4-yl-6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-amine?
N-(6-fluoro-3,4-dihydro-2H-chromen-4-yl)-2-pyridin-4-yl-6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-amine has a molecular weight of 362.41 g/mol, XLogP of 4.10, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(6-fluoro-3,4-dihydro-2H-chromen-4-yl)-2-pyridin-4-yl-6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-amine is sourced from PubChem (CID 133295801), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).