N,N-dimethyl-2-(1-methylimidazol-4-yl)-6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-amine;propane

C16H25N5 — CID 157032101

IUPACN,N-dimethyl-2-(1-methylimidazol-4-yl)-6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-amine;propane
SMILESCCC.CN(C)c1nc(-c2cn(C)cn2)nc2c1CCC2
InChIInChI=1S/C13H17N5.C3H8/c1-17(2)13-9-5-4-6-10(9)15-12(16-13)11-7-18(3)8-14-11;1-3-2/h7-8H,4-6H2,1-3H3;3H2,1-2H3
InChIKeyPBJPXAAOHUJLID-UHFFFAOYSA-N
MW287.41 g/mol
LogP2.85
Rot. Bonds2

About N,N-dimethyl-2-(1-methylimidazol-4-yl)-6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-amine;propane

N,N-dimethyl-2-(1-methylimidazol-4-yl)-6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-amine;propane (PubChem CID 157032101) has the molecular formula C16H25N5 and a molecular weight of 287.41 g/mol. Its IUPAC name is N,N-dimethyl-2-(1-methylimidazol-4-yl)-6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-amine;propane.

Molecular Properties

Compound NameN,N-dimethyl-2-(1-methylimidazol-4-yl)-6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-amine;propane
PubChem CID157032101
Molecular FormulaC16H25N5
Molecular Weight287.41 g/mol
Exact Mass287.21
IUPAC NameN,N-dimethyl-2-(1-methylimidazol-4-yl)-6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-amine;propane
SMILESCCC.CN(C)c1nc(-c2cn(C)cn2)nc2c1CCC2
InChIInChI=1S/C13H17N5.C3H8/c1-17(2)13-9-5-4-6-10(9)15-12(16-13)11-7-18(3)8-14-11;1-3-2/h7-8H,4-6H2,1-3H3;3H2,1-2H3
InChIKeyPBJPXAAOHUJLID-UHFFFAOYSA-N
XLogP2.85
TPSA46.84 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500287.41
LogP ≤ 52.85
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N,N-dimethyl-2-(1-methylimidazol-4-yl)-6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-amine;propane?
The IUPAC name of N,N-dimethyl-2-(1-methylimidazol-4-yl)-6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-amine;propane (CID 157032101) is N,N-dimethyl-2-(1-methylimidazol-4-yl)-6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-amine;propane.
What is the SMILES notation for N,N-dimethyl-2-(1-methylimidazol-4-yl)-6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-amine;propane?
The canonical SMILES for N,N-dimethyl-2-(1-methylimidazol-4-yl)-6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-amine;propane is CCC.CN(C)c1nc(-c2cn(C)cn2)nc2c1CCC2.
What is the InChIKey of N,N-dimethyl-2-(1-methylimidazol-4-yl)-6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-amine;propane?
The InChIKey is PBJPXAAOHUJLID-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H17N5.C3H8/c1-17(2)13-9-5-4-6-10(9)15-12(16-13)11-7-18(3)8-14-11;1-3-2/h7-8H,4-6H2,1-3H3;3H2,1-2H3.
What are the key properties of N,N-dimethyl-2-(1-methylimidazol-4-yl)-6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-amine;propane?
N,N-dimethyl-2-(1-methylimidazol-4-yl)-6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-amine;propane has a molecular weight of 287.41 g/mol, XLogP of 2.85, 2 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N,N-dimethyl-2-(1-methylimidazol-4-yl)-6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-amine;propane is sourced from PubChem (CID 157032101), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).