7-[2-(azetidin-1-yl)-6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-yl]quinazoline-2,4-diamine

C18H19N7 — CID 165396067

IUPAC7-[2-(azetidin-1-yl)-6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-yl]quinazoline-2,4-diamine
SMILESNc1nc(N)c2ccc(-c3nc(N4CCC4)nc4c3CCC4)cc2n1
InChIInChI=1S/C18H19N7/c19-16-12-6-5-10(9-14(12)21-17(20)24-16)15-11-3-1-4-13(11)22-18(23-15)25-7-2-8-25/h5-6,9H,1-4,7-8H2,(H4,19,20,21,24)
InChIKeyUXEHTWPILCBODL-UHFFFAOYSA-N
MW333.40 g/mol
LogP1.95
Rot. Bonds2

About 7-[2-(azetidin-1-yl)-6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-yl]quinazoline-2,4-diamine

7-[2-(azetidin-1-yl)-6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-yl]quinazoline-2,4-diamine (PubChem CID 165396067) has the molecular formula C18H19N7 and a molecular weight of 333.40 g/mol. Its IUPAC name is 7-[2-(azetidin-1-yl)-6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-yl]quinazoline-2,4-diamine.

Molecular Properties

Compound Name7-[2-(azetidin-1-yl)-6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-yl]quinazoline-2,4-diamine
PubChem CID165396067
Molecular FormulaC18H19N7
Molecular Weight333.40 g/mol
Exact Mass333.17
IUPAC Name7-[2-(azetidin-1-yl)-6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-yl]quinazoline-2,4-diamine
SMILESNc1nc(N)c2ccc(-c3nc(N4CCC4)nc4c3CCC4)cc2n1
InChIInChI=1S/C18H19N7/c19-16-12-6-5-10(9-14(12)21-17(20)24-16)15-11-3-1-4-13(11)22-18(23-15)25-7-2-8-25/h5-6,9H,1-4,7-8H2,(H4,19,20,21,24)
InChIKeyUXEHTWPILCBODL-UHFFFAOYSA-N
XLogP1.95
TPSA106.84 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds2
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500333.40
LogP ≤ 51.95
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 7-[2-(azetidin-1-yl)-6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-yl]quinazoline-2,4-diamine?
The IUPAC name of 7-[2-(azetidin-1-yl)-6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-yl]quinazoline-2,4-diamine (CID 165396067) is 7-[2-(azetidin-1-yl)-6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-yl]quinazoline-2,4-diamine.
What is the SMILES notation for 7-[2-(azetidin-1-yl)-6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-yl]quinazoline-2,4-diamine?
The canonical SMILES for 7-[2-(azetidin-1-yl)-6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-yl]quinazoline-2,4-diamine is Nc1nc(N)c2ccc(-c3nc(N4CCC4)nc4c3CCC4)cc2n1.
What is the InChIKey of 7-[2-(azetidin-1-yl)-6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-yl]quinazoline-2,4-diamine?
The InChIKey is UXEHTWPILCBODL-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H19N7/c19-16-12-6-5-10(9-14(12)21-17(20)24-16)15-11-3-1-4-13(11)22-18(23-15)25-7-2-8-25/h5-6,9H,1-4,7-8H2,(H4,19,20,21,24).
What are the key properties of 7-[2-(azetidin-1-yl)-6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-yl]quinazoline-2,4-diamine?
7-[2-(azetidin-1-yl)-6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-yl]quinazoline-2,4-diamine has a molecular weight of 333.40 g/mol, XLogP of 1.95, 2 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 7-[2-(azetidin-1-yl)-6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-yl]quinazoline-2,4-diamine is sourced from PubChem (CID 165396067), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).