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

C19H22N4O — CID 133390262

IUPACN-[2-(3,6-dihydro-2H-pyran-4-yl)ethyl]-2-pyridin-4-yl-6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-amine
SMILESC1=C(CCNc2nc(-c3ccncc3)nc3c2CCC3)CCOC1
InChIInChI=1S/C19H22N4O/c1-2-16-17(3-1)22-18(15-5-9-20-10-6-15)23-19(16)21-11-4-14-7-12-24-13-8-14/h5-7,9-10H,1-4,8,11-13H2,(H,21,22,23)
InChIKeyLVVHUHXSXMWSJS-UHFFFAOYSA-N
MW322.41 g/mol
LogP3.18
Rot. Bonds5

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

N-[2-(3,6-dihydro-2H-pyran-4-yl)ethyl]-2-pyridin-4-yl-6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-amine (PubChem CID 133390262) has the molecular formula C19H22N4O and a molecular weight of 322.41 g/mol. Its IUPAC name is N-[2-(3,6-dihydro-2H-pyran-4-yl)ethyl]-2-pyridin-4-yl-6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-amine.

Molecular Properties

Compound NameN-[2-(3,6-dihydro-2H-pyran-4-yl)ethyl]-2-pyridin-4-yl-6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-amine
PubChem CID133390262
Molecular FormulaC19H22N4O
Molecular Weight322.41 g/mol
Exact Mass322.18
IUPAC NameN-[2-(3,6-dihydro-2H-pyran-4-yl)ethyl]-2-pyridin-4-yl-6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-amine
SMILESC1=C(CCNc2nc(-c3ccncc3)nc3c2CCC3)CCOC1
InChIInChI=1S/C19H22N4O/c1-2-16-17(3-1)22-18(15-5-9-20-10-6-15)23-19(16)21-11-4-14-7-12-24-13-8-14/h5-7,9-10H,1-4,8,11-13H2,(H,21,22,23)
InChIKeyLVVHUHXSXMWSJS-UHFFFAOYSA-N
XLogP3.18
TPSA59.93 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500322.41
LogP ≤ 53.18
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of N-[2-(3,6-dihydro-2H-pyran-4-yl)ethyl]-2-pyridin-4-yl-6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-amine?
The IUPAC name of N-[2-(3,6-dihydro-2H-pyran-4-yl)ethyl]-2-pyridin-4-yl-6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-amine (CID 133390262) is N-[2-(3,6-dihydro-2H-pyran-4-yl)ethyl]-2-pyridin-4-yl-6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-amine.
What is the SMILES notation for N-[2-(3,6-dihydro-2H-pyran-4-yl)ethyl]-2-pyridin-4-yl-6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-amine?
The canonical SMILES for N-[2-(3,6-dihydro-2H-pyran-4-yl)ethyl]-2-pyridin-4-yl-6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-amine is C1=C(CCNc2nc(-c3ccncc3)nc3c2CCC3)CCOC1.
What is the InChIKey of N-[2-(3,6-dihydro-2H-pyran-4-yl)ethyl]-2-pyridin-4-yl-6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-amine?
The InChIKey is LVVHUHXSXMWSJS-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H22N4O/c1-2-16-17(3-1)22-18(15-5-9-20-10-6-15)23-19(16)21-11-4-14-7-12-24-13-8-14/h5-7,9-10H,1-4,8,11-13H2,(H,21,22,23).
What are the key properties of N-[2-(3,6-dihydro-2H-pyran-4-yl)ethyl]-2-pyridin-4-yl-6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-amine?
N-[2-(3,6-dihydro-2H-pyran-4-yl)ethyl]-2-pyridin-4-yl-6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-amine has a molecular weight of 322.41 g/mol, XLogP of 3.18, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(3,6-dihydro-2H-pyran-4-yl)ethyl]-2-pyridin-4-yl-6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-amine is sourced from PubChem (CID 133390262), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).