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

C17H21N3O — CID 22695652

IUPAC2-methyl-N-(2-propan-2-yloxyphenyl)-6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-amine
SMILESCc1nc2c(c(Nc3ccccc3OC(C)C)n1)CCC2
InChIInChI=1S/C17H21N3O/c1-11(2)21-16-10-5-4-8-15(16)20-17-13-7-6-9-14(13)18-12(3)19-17/h4-5,8,10-11H,6-7,9H2,1-3H3,(H,18,19,20)
InChIKeyCGJNUWDULUGNGX-UHFFFAOYSA-N
MW283.38 g/mol
LogP3.80
Rot. Bonds4

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

2-methyl-N-(2-propan-2-yloxyphenyl)-6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-amine (PubChem CID 22695652) has the molecular formula C17H21N3O and a molecular weight of 283.38 g/mol. Its IUPAC name is 2-methyl-N-(2-propan-2-yloxyphenyl)-6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-amine.

Molecular Properties

Compound Name2-methyl-N-(2-propan-2-yloxyphenyl)-6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-amine
PubChem CID22695652
Molecular FormulaC17H21N3O
Molecular Weight283.38 g/mol
Exact Mass283.17
IUPAC Name2-methyl-N-(2-propan-2-yloxyphenyl)-6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-amine
SMILESCc1nc2c(c(Nc3ccccc3OC(C)C)n1)CCC2
InChIInChI=1S/C17H21N3O/c1-11(2)21-16-10-5-4-8-15(16)20-17-13-7-6-9-14(13)18-12(3)19-17/h4-5,8,10-11H,6-7,9H2,1-3H3,(H,18,19,20)
InChIKeyCGJNUWDULUGNGX-UHFFFAOYSA-N
XLogP3.80
TPSA47.04 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500283.38
LogP ≤ 53.80
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-methyl-N-(2-propan-2-yloxyphenyl)-6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-amine?
The IUPAC name of 2-methyl-N-(2-propan-2-yloxyphenyl)-6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-amine (CID 22695652) is 2-methyl-N-(2-propan-2-yloxyphenyl)-6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-amine.
What is the SMILES notation for 2-methyl-N-(2-propan-2-yloxyphenyl)-6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-amine?
The canonical SMILES for 2-methyl-N-(2-propan-2-yloxyphenyl)-6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-amine is Cc1nc2c(c(Nc3ccccc3OC(C)C)n1)CCC2.
What is the InChIKey of 2-methyl-N-(2-propan-2-yloxyphenyl)-6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-amine?
The InChIKey is CGJNUWDULUGNGX-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H21N3O/c1-11(2)21-16-10-5-4-8-15(16)20-17-13-7-6-9-14(13)18-12(3)19-17/h4-5,8,10-11H,6-7,9H2,1-3H3,(H,18,19,20).
What are the key properties of 2-methyl-N-(2-propan-2-yloxyphenyl)-6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-amine?
2-methyl-N-(2-propan-2-yloxyphenyl)-6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-amine has a molecular weight of 283.38 g/mol, XLogP of 3.80, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-N-(2-propan-2-yloxyphenyl)-6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-amine is sourced from PubChem (CID 22695652), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).