N,N-dimethyl-2-[(E)-prop-1-enyl]-6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-amine

C12H17N3 — CID 58336200

IUPACN,N-dimethyl-2-[(E)-prop-1-enyl]-6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-amine
SMILESC/C=C/c1nc2c(c(N(C)C)n1)CCC2
InChIInChI=1S/C12H17N3/c1-4-6-11-13-10-8-5-7-9(10)12(14-11)15(2)3/h4,6H,5,7-8H2,1-3H3/b6-4+
InChIKeyRXBIEWGJEXZHNH-GQCTYLIASA-N
MW203.29 g/mol
LogP2.06
Rot. Bonds2

About N,N-dimethyl-2-[(E)-prop-1-enyl]-6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-amine

N,N-dimethyl-2-[(E)-prop-1-enyl]-6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-amine (PubChem CID 58336200) has the molecular formula C12H17N3 and a molecular weight of 203.29 g/mol. Its IUPAC name is N,N-dimethyl-2-[(E)-prop-1-enyl]-6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-amine.

Molecular Properties

Compound NameN,N-dimethyl-2-[(E)-prop-1-enyl]-6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-amine
PubChem CID58336200
Molecular FormulaC12H17N3
Molecular Weight203.29 g/mol
Exact Mass203.14
IUPAC NameN,N-dimethyl-2-[(E)-prop-1-enyl]-6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-amine
SMILESC/C=C/c1nc2c(c(N(C)C)n1)CCC2
InChIInChI=1S/C12H17N3/c1-4-6-11-13-10-8-5-7-9(10)12(14-11)15(2)3/h4,6H,5,7-8H2,1-3H3/b6-4+
InChIKeyRXBIEWGJEXZHNH-GQCTYLIASA-N
XLogP2.06
TPSA29.02 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500203.29
LogP ≤ 52.06
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N,N-dimethyl-2-[(E)-prop-1-enyl]-6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-amine?
The IUPAC name of N,N-dimethyl-2-[(E)-prop-1-enyl]-6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-amine (CID 58336200) is N,N-dimethyl-2-[(E)-prop-1-enyl]-6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-amine.
What is the SMILES notation for N,N-dimethyl-2-[(E)-prop-1-enyl]-6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-amine?
The canonical SMILES for N,N-dimethyl-2-[(E)-prop-1-enyl]-6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-amine is C/C=C/c1nc2c(c(N(C)C)n1)CCC2.
What is the InChIKey of N,N-dimethyl-2-[(E)-prop-1-enyl]-6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-amine?
The InChIKey is RXBIEWGJEXZHNH-GQCTYLIASA-N. The full InChI is InChI=1S/C12H17N3/c1-4-6-11-13-10-8-5-7-9(10)12(14-11)15(2)3/h4,6H,5,7-8H2,1-3H3/b6-4+.
What are the key properties of N,N-dimethyl-2-[(E)-prop-1-enyl]-6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-amine?
N,N-dimethyl-2-[(E)-prop-1-enyl]-6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-amine has a molecular weight of 203.29 g/mol, XLogP of 2.06, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N,N-dimethyl-2-[(E)-prop-1-enyl]-6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-amine is sourced from PubChem (CID 58336200), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).