N-[1-(2,3-dihydro-1H-inden-2-yl)azetidin-3-yl]pyrimidin-2-amine

C16H18N4 — CID 121184377

IUPACN-[1-(2,3-dihydro-1H-inden-2-yl)azetidin-3-yl]pyrimidin-2-amine
SMILESc1cnc(NC2CN(C3Cc4ccccc4C3)C2)nc1
InChIInChI=1S/C16H18N4/c1-2-5-13-9-15(8-12(13)4-1)20-10-14(11-20)19-16-17-6-3-7-18-16/h1-7,14-15H,8-11H2,(H,17,18,19)
InChIKeyHNMUDRHOFQMKSN-UHFFFAOYSA-N
MW266.35 g/mol
LogP1.74
Rot. Bonds3

About N-[1-(2,3-dihydro-1H-inden-2-yl)azetidin-3-yl]pyrimidin-2-amine

N-[1-(2,3-dihydro-1H-inden-2-yl)azetidin-3-yl]pyrimidin-2-amine (PubChem CID 121184377) has the molecular formula C16H18N4 and a molecular weight of 266.35 g/mol. Its IUPAC name is N-[1-(2,3-dihydro-1H-inden-2-yl)azetidin-3-yl]pyrimidin-2-amine.

Molecular Properties

Compound NameN-[1-(2,3-dihydro-1H-inden-2-yl)azetidin-3-yl]pyrimidin-2-amine
PubChem CID121184377
Molecular FormulaC16H18N4
Molecular Weight266.35 g/mol
Exact Mass266.15
IUPAC NameN-[1-(2,3-dihydro-1H-inden-2-yl)azetidin-3-yl]pyrimidin-2-amine
SMILESc1cnc(NC2CN(C3Cc4ccccc4C3)C2)nc1
InChIInChI=1S/C16H18N4/c1-2-5-13-9-15(8-12(13)4-1)20-10-14(11-20)19-16-17-6-3-7-18-16/h1-7,14-15H,8-11H2,(H,17,18,19)
InChIKeyHNMUDRHOFQMKSN-UHFFFAOYSA-N
XLogP1.74
TPSA41.05 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500266.35
LogP ≤ 51.74
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-[1-(2,3-dihydro-1H-inden-2-yl)azetidin-3-yl]pyrimidin-2-amine?
The IUPAC name of N-[1-(2,3-dihydro-1H-inden-2-yl)azetidin-3-yl]pyrimidin-2-amine (CID 121184377) is N-[1-(2,3-dihydro-1H-inden-2-yl)azetidin-3-yl]pyrimidin-2-amine.
What is the SMILES notation for N-[1-(2,3-dihydro-1H-inden-2-yl)azetidin-3-yl]pyrimidin-2-amine?
The canonical SMILES for N-[1-(2,3-dihydro-1H-inden-2-yl)azetidin-3-yl]pyrimidin-2-amine is c1cnc(NC2CN(C3Cc4ccccc4C3)C2)nc1.
What is the InChIKey of N-[1-(2,3-dihydro-1H-inden-2-yl)azetidin-3-yl]pyrimidin-2-amine?
The InChIKey is HNMUDRHOFQMKSN-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H18N4/c1-2-5-13-9-15(8-12(13)4-1)20-10-14(11-20)19-16-17-6-3-7-18-16/h1-7,14-15H,8-11H2,(H,17,18,19).
What are the key properties of N-[1-(2,3-dihydro-1H-inden-2-yl)azetidin-3-yl]pyrimidin-2-amine?
N-[1-(2,3-dihydro-1H-inden-2-yl)azetidin-3-yl]pyrimidin-2-amine has a molecular weight of 266.35 g/mol, XLogP of 1.74, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(2,3-dihydro-1H-inden-2-yl)azetidin-3-yl]pyrimidin-2-amine is sourced from PubChem (CID 121184377), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).