2-methyl-N-(oxolan-2-ylmethyl)-6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-amine

C13H19N3O — CID 53192882

IUPAC2-methyl-N-(oxolan-2-ylmethyl)-6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-amine
SMILESCc1nc2c(c(NCC3CCCO3)n1)CCC2
InChIInChI=1S/C13H19N3O/c1-9-15-12-6-2-5-11(12)13(16-9)14-8-10-4-3-7-17-10/h10H,2-8H2,1H3,(H,14,15,16)
InChIKeyUVJWNBVQGGTPHM-UHFFFAOYSA-N
MW233.31 g/mol
LogP1.86
Rot. Bonds3

About 2-methyl-N-(oxolan-2-ylmethyl)-6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-amine

2-methyl-N-(oxolan-2-ylmethyl)-6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-amine (PubChem CID 53192882) has the molecular formula C13H19N3O and a molecular weight of 233.31 g/mol. Its IUPAC name is 2-methyl-N-(oxolan-2-ylmethyl)-6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-amine.

Molecular Properties

Compound Name2-methyl-N-(oxolan-2-ylmethyl)-6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-amine
PubChem CID53192882
Molecular FormulaC13H19N3O
Molecular Weight233.31 g/mol
Exact Mass233.15
IUPAC Name2-methyl-N-(oxolan-2-ylmethyl)-6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-amine
SMILESCc1nc2c(c(NCC3CCCO3)n1)CCC2
InChIInChI=1S/C13H19N3O/c1-9-15-12-6-2-5-11(12)13(16-9)14-8-10-4-3-7-17-10/h10H,2-8H2,1H3,(H,14,15,16)
InChIKeyUVJWNBVQGGTPHM-UHFFFAOYSA-N
XLogP1.86
TPSA47.04 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500233.31
LogP ≤ 51.86
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-methyl-N-(oxolan-2-ylmethyl)-6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-amine?
The IUPAC name of 2-methyl-N-(oxolan-2-ylmethyl)-6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-amine (CID 53192882) is 2-methyl-N-(oxolan-2-ylmethyl)-6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-amine.
What is the SMILES notation for 2-methyl-N-(oxolan-2-ylmethyl)-6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-amine?
The canonical SMILES for 2-methyl-N-(oxolan-2-ylmethyl)-6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-amine is Cc1nc2c(c(NCC3CCCO3)n1)CCC2.
What is the InChIKey of 2-methyl-N-(oxolan-2-ylmethyl)-6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-amine?
The InChIKey is UVJWNBVQGGTPHM-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H19N3O/c1-9-15-12-6-2-5-11(12)13(16-9)14-8-10-4-3-7-17-10/h10H,2-8H2,1H3,(H,14,15,16).
What are the key properties of 2-methyl-N-(oxolan-2-ylmethyl)-6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-amine?
2-methyl-N-(oxolan-2-ylmethyl)-6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-amine has a molecular weight of 233.31 g/mol, XLogP of 1.86, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-N-(oxolan-2-ylmethyl)-6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-amine is sourced from PubChem (CID 53192882), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).