2-chloro-N-[1-(2,5-dimethylfuran-3-yl)ethyl]pyrimidin-4-amine

C12H14ClN3O — CID 62342085

IUPAC2-chloro-N-[1-(2,5-dimethylfuran-3-yl)ethyl]pyrimidin-4-amine
SMILESCc1cc(C(C)Nc2ccnc(Cl)n2)c(C)o1
InChIInChI=1S/C12H14ClN3O/c1-7-6-10(9(3)17-7)8(2)15-11-4-5-14-12(13)16-11/h4-6,8H,1-3H3,(H,14,15,16)
InChIKeyDUGCFFZUTKDDEZ-UHFFFAOYSA-N
MW251.72 g/mol
LogP3.51
Rot. Bonds3

About 2-chloro-N-[1-(2,5-dimethylfuran-3-yl)ethyl]pyrimidin-4-amine

2-chloro-N-[1-(2,5-dimethylfuran-3-yl)ethyl]pyrimidin-4-amine (PubChem CID 62342085) has the molecular formula C12H14ClN3O and a molecular weight of 251.72 g/mol. Its IUPAC name is 2-chloro-N-[1-(2,5-dimethylfuran-3-yl)ethyl]pyrimidin-4-amine.

Molecular Properties

Compound Name2-chloro-N-[1-(2,5-dimethylfuran-3-yl)ethyl]pyrimidin-4-amine
PubChem CID62342085
Molecular FormulaC12H14ClN3O
Molecular Weight251.72 g/mol
Exact Mass251.08
IUPAC Name2-chloro-N-[1-(2,5-dimethylfuran-3-yl)ethyl]pyrimidin-4-amine
SMILESCc1cc(C(C)Nc2ccnc(Cl)n2)c(C)o1
InChIInChI=1S/C12H14ClN3O/c1-7-6-10(9(3)17-7)8(2)15-11-4-5-14-12(13)16-11/h4-6,8H,1-3H3,(H,14,15,16)
InChIKeyDUGCFFZUTKDDEZ-UHFFFAOYSA-N
XLogP3.51
TPSA50.95 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500251.72
LogP ≤ 53.51
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-chloro-N-[1-(2,5-dimethylfuran-3-yl)ethyl]pyrimidin-4-amine?
The IUPAC name of 2-chloro-N-[1-(2,5-dimethylfuran-3-yl)ethyl]pyrimidin-4-amine (CID 62342085) is 2-chloro-N-[1-(2,5-dimethylfuran-3-yl)ethyl]pyrimidin-4-amine.
What is the SMILES notation for 2-chloro-N-[1-(2,5-dimethylfuran-3-yl)ethyl]pyrimidin-4-amine?
The canonical SMILES for 2-chloro-N-[1-(2,5-dimethylfuran-3-yl)ethyl]pyrimidin-4-amine is Cc1cc(C(C)Nc2ccnc(Cl)n2)c(C)o1.
What is the InChIKey of 2-chloro-N-[1-(2,5-dimethylfuran-3-yl)ethyl]pyrimidin-4-amine?
The InChIKey is DUGCFFZUTKDDEZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H14ClN3O/c1-7-6-10(9(3)17-7)8(2)15-11-4-5-14-12(13)16-11/h4-6,8H,1-3H3,(H,14,15,16).
What are the key properties of 2-chloro-N-[1-(2,5-dimethylfuran-3-yl)ethyl]pyrimidin-4-amine?
2-chloro-N-[1-(2,5-dimethylfuran-3-yl)ethyl]pyrimidin-4-amine has a molecular weight of 251.72 g/mol, XLogP of 3.51, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-N-[1-(2,5-dimethylfuran-3-yl)ethyl]pyrimidin-4-amine is sourced from PubChem (CID 62342085), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).