2-(4-methyl-6,7-dihydro-5H-cyclopenta[d]pyrimidin-2-yl)ethanamine;dihydrochloride

C10H17Cl2N3 — CID 75530624

IUPAC2-(4-methyl-6,7-dihydro-5H-cyclopenta[d]pyrimidin-2-yl)ethanamine;dihydrochloride
SMILESCc1nc(CCN)nc2c1CCC2.Cl.Cl
InChIInChI=1S/C10H15N3.2ClH/c1-7-8-3-2-4-9(8)13-10(12-7)5-6-11;;/h2-6,11H2,1H3;2*1H
InChIKeyAWCHKABKMUJJGI-UHFFFAOYSA-N
MW250.17 g/mol
LogP1.62
Rot. Bonds2

About 2-(4-methyl-6,7-dihydro-5H-cyclopenta[d]pyrimidin-2-yl)ethanamine;dihydrochloride

2-(4-methyl-6,7-dihydro-5H-cyclopenta[d]pyrimidin-2-yl)ethanamine;dihydrochloride (PubChem CID 75530624) has the molecular formula C10H17Cl2N3 and a molecular weight of 250.17 g/mol. Its IUPAC name is 2-(4-methyl-6,7-dihydro-5H-cyclopenta[d]pyrimidin-2-yl)ethanamine;dihydrochloride.

Molecular Properties

Compound Name2-(4-methyl-6,7-dihydro-5H-cyclopenta[d]pyrimidin-2-yl)ethanamine;dihydrochloride
PubChem CID75530624
Molecular FormulaC10H17Cl2N3
Molecular Weight250.17 g/mol
Exact Mass249.08
IUPAC Name2-(4-methyl-6,7-dihydro-5H-cyclopenta[d]pyrimidin-2-yl)ethanamine;dihydrochloride
SMILESCc1nc(CCN)nc2c1CCC2.Cl.Cl
InChIInChI=1S/C10H15N3.2ClH/c1-7-8-3-2-4-9(8)13-10(12-7)5-6-11;;/h2-6,11H2,1H3;2*1H
InChIKeyAWCHKABKMUJJGI-UHFFFAOYSA-N
XLogP1.62
TPSA51.80 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500250.17
LogP ≤ 51.62
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-(4-methyl-6,7-dihydro-5H-cyclopenta[d]pyrimidin-2-yl)ethanamine;dihydrochloride?
The IUPAC name of 2-(4-methyl-6,7-dihydro-5H-cyclopenta[d]pyrimidin-2-yl)ethanamine;dihydrochloride (CID 75530624) is 2-(4-methyl-6,7-dihydro-5H-cyclopenta[d]pyrimidin-2-yl)ethanamine;dihydrochloride.
What is the SMILES notation for 2-(4-methyl-6,7-dihydro-5H-cyclopenta[d]pyrimidin-2-yl)ethanamine;dihydrochloride?
The canonical SMILES for 2-(4-methyl-6,7-dihydro-5H-cyclopenta[d]pyrimidin-2-yl)ethanamine;dihydrochloride is Cc1nc(CCN)nc2c1CCC2.Cl.Cl.
What is the InChIKey of 2-(4-methyl-6,7-dihydro-5H-cyclopenta[d]pyrimidin-2-yl)ethanamine;dihydrochloride?
The InChIKey is AWCHKABKMUJJGI-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H15N3.2ClH/c1-7-8-3-2-4-9(8)13-10(12-7)5-6-11;;/h2-6,11H2,1H3;2*1H.
What are the key properties of 2-(4-methyl-6,7-dihydro-5H-cyclopenta[d]pyrimidin-2-yl)ethanamine;dihydrochloride?
2-(4-methyl-6,7-dihydro-5H-cyclopenta[d]pyrimidin-2-yl)ethanamine;dihydrochloride has a molecular weight of 250.17 g/mol, XLogP of 1.62, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-methyl-6,7-dihydro-5H-cyclopenta[d]pyrimidin-2-yl)ethanamine;dihydrochloride is sourced from PubChem (CID 75530624), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).