2-chloro-5-methyl-N-[1-(5-methylfuran-2-yl)ethyl]pyrimidin-4-amine

C12H14ClN3O — CID 79076194

IUPAC2-chloro-5-methyl-N-[1-(5-methylfuran-2-yl)ethyl]pyrimidin-4-amine
SMILESCc1ccc(C(C)Nc2nc(Cl)ncc2C)o1
InChIInChI=1S/C12H14ClN3O/c1-7-6-14-12(13)16-11(7)15-9(3)10-5-4-8(2)17-10/h4-6,9H,1-3H3,(H,14,15,16)
InChIKeyYDSJXHIHZXUPOJ-UHFFFAOYSA-N
MW251.72 g/mol
LogP3.51
Rot. Bonds3

About 2-chloro-5-methyl-N-[1-(5-methylfuran-2-yl)ethyl]pyrimidin-4-amine

2-chloro-5-methyl-N-[1-(5-methylfuran-2-yl)ethyl]pyrimidin-4-amine (PubChem CID 79076194) has the molecular formula C12H14ClN3O and a molecular weight of 251.72 g/mol. Its IUPAC name is 2-chloro-5-methyl-N-[1-(5-methylfuran-2-yl)ethyl]pyrimidin-4-amine.

Molecular Properties

Compound Name2-chloro-5-methyl-N-[1-(5-methylfuran-2-yl)ethyl]pyrimidin-4-amine
PubChem CID79076194
Molecular FormulaC12H14ClN3O
Molecular Weight251.72 g/mol
Exact Mass251.08
IUPAC Name2-chloro-5-methyl-N-[1-(5-methylfuran-2-yl)ethyl]pyrimidin-4-amine
SMILESCc1ccc(C(C)Nc2nc(Cl)ncc2C)o1
InChIInChI=1S/C12H14ClN3O/c1-7-6-14-12(13)16-11(7)15-9(3)10-5-4-8(2)17-10/h4-6,9H,1-3H3,(H,14,15,16)
InChIKeyYDSJXHIHZXUPOJ-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-5-methyl-N-[1-(5-methylfuran-2-yl)ethyl]pyrimidin-4-amine?
The IUPAC name of 2-chloro-5-methyl-N-[1-(5-methylfuran-2-yl)ethyl]pyrimidin-4-amine (CID 79076194) is 2-chloro-5-methyl-N-[1-(5-methylfuran-2-yl)ethyl]pyrimidin-4-amine.
What is the SMILES notation for 2-chloro-5-methyl-N-[1-(5-methylfuran-2-yl)ethyl]pyrimidin-4-amine?
The canonical SMILES for 2-chloro-5-methyl-N-[1-(5-methylfuran-2-yl)ethyl]pyrimidin-4-amine is Cc1ccc(C(C)Nc2nc(Cl)ncc2C)o1.
What is the InChIKey of 2-chloro-5-methyl-N-[1-(5-methylfuran-2-yl)ethyl]pyrimidin-4-amine?
The InChIKey is YDSJXHIHZXUPOJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H14ClN3O/c1-7-6-14-12(13)16-11(7)15-9(3)10-5-4-8(2)17-10/h4-6,9H,1-3H3,(H,14,15,16).
What are the key properties of 2-chloro-5-methyl-N-[1-(5-methylfuran-2-yl)ethyl]pyrimidin-4-amine?
2-chloro-5-methyl-N-[1-(5-methylfuran-2-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-5-methyl-N-[1-(5-methylfuran-2-yl)ethyl]pyrimidin-4-amine is sourced from PubChem (CID 79076194), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).