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

C16H27N5 — CID 115415718

IUPAC2-[(1,4-dimethylpiperazin-2-yl)methyl]-N-ethyl-6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-amine
SMILESCCNc1nc(CC2CN(C)CCN2C)nc2c1CCC2
InChIInChI=1S/C16H27N5/c1-4-17-16-13-6-5-7-14(13)18-15(19-16)10-12-11-20(2)8-9-21(12)3/h12H,4-11H2,1-3H3,(H,17,18,19)
InChIKeyYLSUOJHMZINAPD-UHFFFAOYSA-N
MW289.43 g/mol
LogP1.19
Rot. Bonds4

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

2-[(1,4-dimethylpiperazin-2-yl)methyl]-N-ethyl-6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-amine (PubChem CID 115415718) has the molecular formula C16H27N5 and a molecular weight of 289.43 g/mol. Its IUPAC name is 2-[(1,4-dimethylpiperazin-2-yl)methyl]-N-ethyl-6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-amine.

Molecular Properties

Compound Name2-[(1,4-dimethylpiperazin-2-yl)methyl]-N-ethyl-6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-amine
PubChem CID115415718
Molecular FormulaC16H27N5
Molecular Weight289.43 g/mol
Exact Mass289.23
IUPAC Name2-[(1,4-dimethylpiperazin-2-yl)methyl]-N-ethyl-6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-amine
SMILESCCNc1nc(CC2CN(C)CCN2C)nc2c1CCC2
InChIInChI=1S/C16H27N5/c1-4-17-16-13-6-5-7-14(13)18-15(19-16)10-12-11-20(2)8-9-21(12)3/h12H,4-11H2,1-3H3,(H,17,18,19)
InChIKeyYLSUOJHMZINAPD-UHFFFAOYSA-N
XLogP1.19
TPSA44.29 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500289.43
LogP ≤ 51.19
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze 2-[(1,4-dimethylpiperazin-2-yl)methyl]-N-ethyl-6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-amine with MolForge

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Related Compounds

2-(1,4-dimethylpiperazin-2-yl)-N-ethyl-6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-amine
CID 79666378
2-[(1,4-dimethylpiperazin-2-yl)methyl]-N-ethyl-5,6-dimethylpyrimidin-4-amine
CID 115415736
N-ethyl-2-(2,2,2-trifluoroethyl)-5,6,7,8-tetrahydroquinazolin-4-amine
CID 62191642
2-[(1,4-dimethylpiperazin-2-yl)methyl]-N-ethylpyrimidin-4-amine
CID 115415733
[2-[(1,4-dimethylpiperazin-2-yl)methyl]-5-fluoro-6-methylpyrimidin-4-yl]hydrazine
CID 113305589
N-ethyl-2-(2-phenylethyl)-6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-amine
CID 62190523
N-ethyl-2-(propoxymethyl)-6,7,8,9-tetrahydro-5H-cyclohepta[d]pyrimidin-4-amine
CID 55201490
2-[2-(dimethylamino)ethyl]-N-ethyl-6,7,8,9-tetrahydro-5H-cyclohepta[d]pyrimidin-4-amine
CID 115347019
2-(oxolan-3-ylmethyl)-N-propyl-6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-amine
CID 103987783
N-ethyl-2-piperidin-1-yl-5,6,7,8-tetrahydroquinazolin-4-amine
CID 62191304
N-ethyl-2-piperidin-1-yl-6,7,8,9-tetrahydro-5H-cyclohepta[d]pyrimidin-4-amine
CID 63351687
2-[(3,4-dimethylphenyl)methyl]-N-ethyl-6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-amine
CID 63487302

Frequently Asked Questions

What is the IUPAC name of 2-[(1,4-dimethylpiperazin-2-yl)methyl]-N-ethyl-6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-amine?
The IUPAC name of 2-[(1,4-dimethylpiperazin-2-yl)methyl]-N-ethyl-6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-amine (CID 115415718) is 2-[(1,4-dimethylpiperazin-2-yl)methyl]-N-ethyl-6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-amine.
What is the SMILES notation for 2-[(1,4-dimethylpiperazin-2-yl)methyl]-N-ethyl-6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-amine?
The canonical SMILES for 2-[(1,4-dimethylpiperazin-2-yl)methyl]-N-ethyl-6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-amine is CCNc1nc(CC2CN(C)CCN2C)nc2c1CCC2.
What is the InChIKey of 2-[(1,4-dimethylpiperazin-2-yl)methyl]-N-ethyl-6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-amine?
The InChIKey is YLSUOJHMZINAPD-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H27N5/c1-4-17-16-13-6-5-7-14(13)18-15(19-16)10-12-11-20(2)8-9-21(12)3/h12H,4-11H2,1-3H3,(H,17,18,19).
What are the key properties of 2-[(1,4-dimethylpiperazin-2-yl)methyl]-N-ethyl-6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-amine?
2-[(1,4-dimethylpiperazin-2-yl)methyl]-N-ethyl-6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-amine has a molecular weight of 289.43 g/mol, XLogP of 1.19, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(1,4-dimethylpiperazin-2-yl)methyl]-N-ethyl-6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-amine is sourced from PubChem (CID 115415718), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).