N-(2-cyclopropyl-6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-yl)-N',N'-dimethylethane-1,2-diamine

C14H22N4 — CID 53192897

IUPACN-(2-cyclopropyl-6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-yl)-N',N'-dimethylethane-1,2-diamine
SMILESCN(C)CCNc1nc(C2CC2)nc2c1CCC2
InChIInChI=1S/C14H22N4/c1-18(2)9-8-15-14-11-4-3-5-12(11)16-13(17-14)10-6-7-10/h10H,3-9H2,1-2H3,(H,15,16,17)
InChIKeyBCHZIEVJAIYJJR-UHFFFAOYSA-N
MW246.36 g/mol
LogP1.82
Rot. Bonds5

About N-(2-cyclopropyl-6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-yl)-N',N'-dimethylethane-1,2-diamine

N-(2-cyclopropyl-6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-yl)-N',N'-dimethylethane-1,2-diamine (PubChem CID 53192897) has the molecular formula C14H22N4 and a molecular weight of 246.36 g/mol. Its IUPAC name is N-(2-cyclopropyl-6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-yl)-N',N'-dimethylethane-1,2-diamine.

Molecular Properties

Compound NameN-(2-cyclopropyl-6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-yl)-N',N'-dimethylethane-1,2-diamine
PubChem CID53192897
Molecular FormulaC14H22N4
Molecular Weight246.36 g/mol
Exact Mass246.18
IUPAC NameN-(2-cyclopropyl-6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-yl)-N',N'-dimethylethane-1,2-diamine
SMILESCN(C)CCNc1nc(C2CC2)nc2c1CCC2
InChIInChI=1S/C14H22N4/c1-18(2)9-8-15-14-11-4-3-5-12(11)16-13(17-14)10-6-7-10/h10H,3-9H2,1-2H3,(H,15,16,17)
InChIKeyBCHZIEVJAIYJJR-UHFFFAOYSA-N
XLogP1.82
TPSA41.05 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500246.36
LogP ≤ 51.82
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-(2-cyclopropyl-6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-yl)-N',N'-dimethylethane-1,2-diamine?
The IUPAC name of N-(2-cyclopropyl-6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-yl)-N',N'-dimethylethane-1,2-diamine (CID 53192897) is N-(2-cyclopropyl-6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-yl)-N',N'-dimethylethane-1,2-diamine.
What is the SMILES notation for N-(2-cyclopropyl-6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-yl)-N',N'-dimethylethane-1,2-diamine?
The canonical SMILES for N-(2-cyclopropyl-6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-yl)-N',N'-dimethylethane-1,2-diamine is CN(C)CCNc1nc(C2CC2)nc2c1CCC2.
What is the InChIKey of N-(2-cyclopropyl-6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-yl)-N',N'-dimethylethane-1,2-diamine?
The InChIKey is BCHZIEVJAIYJJR-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H22N4/c1-18(2)9-8-15-14-11-4-3-5-12(11)16-13(17-14)10-6-7-10/h10H,3-9H2,1-2H3,(H,15,16,17).
What are the key properties of N-(2-cyclopropyl-6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-yl)-N',N'-dimethylethane-1,2-diamine?
N-(2-cyclopropyl-6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-yl)-N',N'-dimethylethane-1,2-diamine has a molecular weight of 246.36 g/mol, XLogP of 1.82, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-cyclopropyl-6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-yl)-N',N'-dimethylethane-1,2-diamine is sourced from PubChem (CID 53192897), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).