6-chloro-N-(1-cyclopropylethyl)-N-(2-methoxyethyl)pyrimidin-4-amine

C12H18ClN3O — CID 55002940

IUPAC6-chloro-N-(1-cyclopropylethyl)-N-(2-methoxyethyl)pyrimidin-4-amine
SMILESCOCCN(c1cc(Cl)ncn1)C(C)C1CC1
InChIInChI=1S/C12H18ClN3O/c1-9(10-3-4-10)16(5-6-17-2)12-7-11(13)14-8-15-12/h7-10H,3-6H2,1-2H3
InChIKeyHIUWJDLUNUNUDL-UHFFFAOYSA-N
MW255.75 g/mol
LogP2.38
Rot. Bonds6

About 6-chloro-N-(1-cyclopropylethyl)-N-(2-methoxyethyl)pyrimidin-4-amine

6-chloro-N-(1-cyclopropylethyl)-N-(2-methoxyethyl)pyrimidin-4-amine (PubChem CID 55002940) has the molecular formula C12H18ClN3O and a molecular weight of 255.75 g/mol. Its IUPAC name is 6-chloro-N-(1-cyclopropylethyl)-N-(2-methoxyethyl)pyrimidin-4-amine.

Molecular Properties

Compound Name6-chloro-N-(1-cyclopropylethyl)-N-(2-methoxyethyl)pyrimidin-4-amine
PubChem CID55002940
Molecular FormulaC12H18ClN3O
Molecular Weight255.75 g/mol
Exact Mass255.11
IUPAC Name6-chloro-N-(1-cyclopropylethyl)-N-(2-methoxyethyl)pyrimidin-4-amine
SMILESCOCCN(c1cc(Cl)ncn1)C(C)C1CC1
InChIInChI=1S/C12H18ClN3O/c1-9(10-3-4-10)16(5-6-17-2)12-7-11(13)14-8-15-12/h7-10H,3-6H2,1-2H3
InChIKeyHIUWJDLUNUNUDL-UHFFFAOYSA-N
XLogP2.38
TPSA38.25 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500255.75
LogP ≤ 52.38
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 6-chloro-N-(1-cyclopropylethyl)-N-(2-methoxyethyl)pyrimidin-4-amine?
The IUPAC name of 6-chloro-N-(1-cyclopropylethyl)-N-(2-methoxyethyl)pyrimidin-4-amine (CID 55002940) is 6-chloro-N-(1-cyclopropylethyl)-N-(2-methoxyethyl)pyrimidin-4-amine.
What is the SMILES notation for 6-chloro-N-(1-cyclopropylethyl)-N-(2-methoxyethyl)pyrimidin-4-amine?
The canonical SMILES for 6-chloro-N-(1-cyclopropylethyl)-N-(2-methoxyethyl)pyrimidin-4-amine is COCCN(c1cc(Cl)ncn1)C(C)C1CC1.
What is the InChIKey of 6-chloro-N-(1-cyclopropylethyl)-N-(2-methoxyethyl)pyrimidin-4-amine?
The InChIKey is HIUWJDLUNUNUDL-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H18ClN3O/c1-9(10-3-4-10)16(5-6-17-2)12-7-11(13)14-8-15-12/h7-10H,3-6H2,1-2H3.
What are the key properties of 6-chloro-N-(1-cyclopropylethyl)-N-(2-methoxyethyl)pyrimidin-4-amine?
6-chloro-N-(1-cyclopropylethyl)-N-(2-methoxyethyl)pyrimidin-4-amine has a molecular weight of 255.75 g/mol, XLogP of 2.38, 6 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-chloro-N-(1-cyclopropylethyl)-N-(2-methoxyethyl)pyrimidin-4-amine is sourced from PubChem (CID 55002940), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).