N-(4-methyl-6,7-dihydro-5H-cyclopenta[d]pyrimidin-2-yl)-1,3-benzoxazol-2-amine

C15H14N4O — CID 2063178

IUPACN-(4-methyl-6,7-dihydro-5H-cyclopenta[d]pyrimidin-2-yl)-1,3-benzoxazol-2-amine
SMILESCc1nc(Nc2nc3ccccc3o2)nc2c1CCC2
InChIInChI=1S/C15H14N4O/c1-9-10-5-4-7-11(10)17-14(16-9)19-15-18-12-6-2-3-8-13(12)20-15/h2-3,6,8H,4-5,7H2,1H3,(H,16,17,18,19)
InChIKeyCUIMFHYVLPETHK-UHFFFAOYSA-N
MW266.30 g/mol
LogP3.16
Rot. Bonds2

About N-(4-methyl-6,7-dihydro-5H-cyclopenta[d]pyrimidin-2-yl)-1,3-benzoxazol-2-amine

N-(4-methyl-6,7-dihydro-5H-cyclopenta[d]pyrimidin-2-yl)-1,3-benzoxazol-2-amine (PubChem CID 2063178) has the molecular formula C15H14N4O and a molecular weight of 266.30 g/mol. Its IUPAC name is N-(4-methyl-6,7-dihydro-5H-cyclopenta[d]pyrimidin-2-yl)-1,3-benzoxazol-2-amine.

Molecular Properties

Compound NameN-(4-methyl-6,7-dihydro-5H-cyclopenta[d]pyrimidin-2-yl)-1,3-benzoxazol-2-amine
PubChem CID2063178
Molecular FormulaC15H14N4O
Molecular Weight266.30 g/mol
Exact Mass266.12
IUPAC NameN-(4-methyl-6,7-dihydro-5H-cyclopenta[d]pyrimidin-2-yl)-1,3-benzoxazol-2-amine
SMILESCc1nc(Nc2nc3ccccc3o2)nc2c1CCC2
InChIInChI=1S/C15H14N4O/c1-9-10-5-4-7-11(10)17-14(16-9)19-15-18-12-6-2-3-8-13(12)20-15/h2-3,6,8H,4-5,7H2,1H3,(H,16,17,18,19)
InChIKeyCUIMFHYVLPETHK-UHFFFAOYSA-N
XLogP3.16
TPSA63.84 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500266.30
LogP ≤ 53.16
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-(4-methyl-6,7-dihydro-5H-cyclopenta[d]pyrimidin-2-yl)-1,3-benzoxazol-2-amine?
The IUPAC name of N-(4-methyl-6,7-dihydro-5H-cyclopenta[d]pyrimidin-2-yl)-1,3-benzoxazol-2-amine (CID 2063178) is N-(4-methyl-6,7-dihydro-5H-cyclopenta[d]pyrimidin-2-yl)-1,3-benzoxazol-2-amine.
What is the SMILES notation for N-(4-methyl-6,7-dihydro-5H-cyclopenta[d]pyrimidin-2-yl)-1,3-benzoxazol-2-amine?
The canonical SMILES for N-(4-methyl-6,7-dihydro-5H-cyclopenta[d]pyrimidin-2-yl)-1,3-benzoxazol-2-amine is Cc1nc(Nc2nc3ccccc3o2)nc2c1CCC2.
What is the InChIKey of N-(4-methyl-6,7-dihydro-5H-cyclopenta[d]pyrimidin-2-yl)-1,3-benzoxazol-2-amine?
The InChIKey is CUIMFHYVLPETHK-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H14N4O/c1-9-10-5-4-7-11(10)17-14(16-9)19-15-18-12-6-2-3-8-13(12)20-15/h2-3,6,8H,4-5,7H2,1H3,(H,16,17,18,19).
What are the key properties of N-(4-methyl-6,7-dihydro-5H-cyclopenta[d]pyrimidin-2-yl)-1,3-benzoxazol-2-amine?
N-(4-methyl-6,7-dihydro-5H-cyclopenta[d]pyrimidin-2-yl)-1,3-benzoxazol-2-amine has a molecular weight of 266.30 g/mol, XLogP of 3.16, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-methyl-6,7-dihydro-5H-cyclopenta[d]pyrimidin-2-yl)-1,3-benzoxazol-2-amine is sourced from PubChem (CID 2063178), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).