N'-(5-chloro-2-methoxypyrimidin-4-yl)-1-cyclopropyl-N,N-dimethylethane-1,2-diamine

C12H19ClN4O — CID 133454072

IUPACN'-(5-chloro-2-methoxypyrimidin-4-yl)-1-cyclopropyl-N,N-dimethylethane-1,2-diamine
SMILESCOc1ncc(Cl)c(NCC(C2CC2)N(C)C)n1
InChIInChI=1S/C12H19ClN4O/c1-17(2)10(8-4-5-8)7-14-11-9(13)6-15-12(16-11)18-3/h6,8,10H,4-5,7H2,1-3H3,(H,14,15,16)
InChIKeyVHOKGFYUDLDDGP-UHFFFAOYSA-N
MW270.76 g/mol
LogP1.89
Rot. Bonds6

About N'-(5-chloro-2-methoxypyrimidin-4-yl)-1-cyclopropyl-N,N-dimethylethane-1,2-diamine

N'-(5-chloro-2-methoxypyrimidin-4-yl)-1-cyclopropyl-N,N-dimethylethane-1,2-diamine (PubChem CID 133454072) has the molecular formula C12H19ClN4O and a molecular weight of 270.76 g/mol. Its IUPAC name is N'-(5-chloro-2-methoxypyrimidin-4-yl)-1-cyclopropyl-N,N-dimethylethane-1,2-diamine.

Molecular Properties

Compound NameN'-(5-chloro-2-methoxypyrimidin-4-yl)-1-cyclopropyl-N,N-dimethylethane-1,2-diamine
PubChem CID133454072
Molecular FormulaC12H19ClN4O
Molecular Weight270.76 g/mol
Exact Mass270.12
IUPAC NameN'-(5-chloro-2-methoxypyrimidin-4-yl)-1-cyclopropyl-N,N-dimethylethane-1,2-diamine
SMILESCOc1ncc(Cl)c(NCC(C2CC2)N(C)C)n1
InChIInChI=1S/C12H19ClN4O/c1-17(2)10(8-4-5-8)7-14-11-9(13)6-15-12(16-11)18-3/h6,8,10H,4-5,7H2,1-3H3,(H,14,15,16)
InChIKeyVHOKGFYUDLDDGP-UHFFFAOYSA-N
XLogP1.89
TPSA50.28 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500270.76
LogP ≤ 51.89
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N'-(5-chloro-2-methoxypyrimidin-4-yl)-1-cyclopropyl-N,N-dimethylethane-1,2-diamine?
The IUPAC name of N'-(5-chloro-2-methoxypyrimidin-4-yl)-1-cyclopropyl-N,N-dimethylethane-1,2-diamine (CID 133454072) is N'-(5-chloro-2-methoxypyrimidin-4-yl)-1-cyclopropyl-N,N-dimethylethane-1,2-diamine.
What is the SMILES notation for N'-(5-chloro-2-methoxypyrimidin-4-yl)-1-cyclopropyl-N,N-dimethylethane-1,2-diamine?
The canonical SMILES for N'-(5-chloro-2-methoxypyrimidin-4-yl)-1-cyclopropyl-N,N-dimethylethane-1,2-diamine is COc1ncc(Cl)c(NCC(C2CC2)N(C)C)n1.
What is the InChIKey of N'-(5-chloro-2-methoxypyrimidin-4-yl)-1-cyclopropyl-N,N-dimethylethane-1,2-diamine?
The InChIKey is VHOKGFYUDLDDGP-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H19ClN4O/c1-17(2)10(8-4-5-8)7-14-11-9(13)6-15-12(16-11)18-3/h6,8,10H,4-5,7H2,1-3H3,(H,14,15,16).
What are the key properties of N'-(5-chloro-2-methoxypyrimidin-4-yl)-1-cyclopropyl-N,N-dimethylethane-1,2-diamine?
N'-(5-chloro-2-methoxypyrimidin-4-yl)-1-cyclopropyl-N,N-dimethylethane-1,2-diamine has a molecular weight of 270.76 g/mol, XLogP of 1.89, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N'-(5-chloro-2-methoxypyrimidin-4-yl)-1-cyclopropyl-N,N-dimethylethane-1,2-diamine is sourced from PubChem (CID 133454072), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).