6-chloro-2-ethyl-5-methyl-N-(oxolan-3-ylmethyl)pyrimidin-4-amine

C12H18ClN3O — CID 79557190

IUPAC6-chloro-2-ethyl-5-methyl-N-(oxolan-3-ylmethyl)pyrimidin-4-amine
SMILESCCc1nc(Cl)c(C)c(NCC2CCOC2)n1
InChIInChI=1S/C12H18ClN3O/c1-3-10-15-11(13)8(2)12(16-10)14-6-9-4-5-17-7-9/h9H,3-7H2,1-2H3,(H,14,15,16)
InChIKeyIWTOMNFPVCIWRV-UHFFFAOYSA-N
MW255.75 g/mol
LogP2.45
Rot. Bonds4

About 6-chloro-2-ethyl-5-methyl-N-(oxolan-3-ylmethyl)pyrimidin-4-amine

6-chloro-2-ethyl-5-methyl-N-(oxolan-3-ylmethyl)pyrimidin-4-amine (PubChem CID 79557190) has the molecular formula C12H18ClN3O and a molecular weight of 255.75 g/mol. Its IUPAC name is 6-chloro-2-ethyl-5-methyl-N-(oxolan-3-ylmethyl)pyrimidin-4-amine.

Molecular Properties

Compound Name6-chloro-2-ethyl-5-methyl-N-(oxolan-3-ylmethyl)pyrimidin-4-amine
PubChem CID79557190
Molecular FormulaC12H18ClN3O
Molecular Weight255.75 g/mol
Exact Mass255.11
IUPAC Name6-chloro-2-ethyl-5-methyl-N-(oxolan-3-ylmethyl)pyrimidin-4-amine
SMILESCCc1nc(Cl)c(C)c(NCC2CCOC2)n1
InChIInChI=1S/C12H18ClN3O/c1-3-10-15-11(13)8(2)12(16-10)14-6-9-4-5-17-7-9/h9H,3-7H2,1-2H3,(H,14,15,16)
InChIKeyIWTOMNFPVCIWRV-UHFFFAOYSA-N
XLogP2.45
TPSA47.04 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500255.75
LogP ≤ 52.45
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 6-chloro-2-ethyl-5-methyl-N-(oxolan-3-ylmethyl)pyrimidin-4-amine?
The IUPAC name of 6-chloro-2-ethyl-5-methyl-N-(oxolan-3-ylmethyl)pyrimidin-4-amine (CID 79557190) is 6-chloro-2-ethyl-5-methyl-N-(oxolan-3-ylmethyl)pyrimidin-4-amine.
What is the SMILES notation for 6-chloro-2-ethyl-5-methyl-N-(oxolan-3-ylmethyl)pyrimidin-4-amine?
The canonical SMILES for 6-chloro-2-ethyl-5-methyl-N-(oxolan-3-ylmethyl)pyrimidin-4-amine is CCc1nc(Cl)c(C)c(NCC2CCOC2)n1.
What is the InChIKey of 6-chloro-2-ethyl-5-methyl-N-(oxolan-3-ylmethyl)pyrimidin-4-amine?
The InChIKey is IWTOMNFPVCIWRV-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H18ClN3O/c1-3-10-15-11(13)8(2)12(16-10)14-6-9-4-5-17-7-9/h9H,3-7H2,1-2H3,(H,14,15,16).
What are the key properties of 6-chloro-2-ethyl-5-methyl-N-(oxolan-3-ylmethyl)pyrimidin-4-amine?
6-chloro-2-ethyl-5-methyl-N-(oxolan-3-ylmethyl)pyrimidin-4-amine has a molecular weight of 255.75 g/mol, XLogP of 2.45, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-chloro-2-ethyl-5-methyl-N-(oxolan-3-ylmethyl)pyrimidin-4-amine is sourced from PubChem (CID 79557190), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).