5-chloro-4-N-(1-cyclopropylethyl)-4-N-(2-methoxyethyl)pyrimidine-2,4-diamine

C12H19ClN4O — CID 80821177

IUPAC5-chloro-4-N-(1-cyclopropylethyl)-4-N-(2-methoxyethyl)pyrimidine-2,4-diamine
SMILESCOCCN(c1nc(N)ncc1Cl)C(C)C1CC1
InChIInChI=1S/C12H19ClN4O/c1-8(9-3-4-9)17(5-6-18-2)11-10(13)7-15-12(14)16-11/h7-9H,3-6H2,1-2H3,(H2,14,15,16)
InChIKeyIARVBZVMSMAADP-UHFFFAOYSA-N
MW270.76 g/mol
LogP1.96
Rot. Bonds6

About 5-chloro-4-N-(1-cyclopropylethyl)-4-N-(2-methoxyethyl)pyrimidine-2,4-diamine

5-chloro-4-N-(1-cyclopropylethyl)-4-N-(2-methoxyethyl)pyrimidine-2,4-diamine (PubChem CID 80821177) has the molecular formula C12H19ClN4O and a molecular weight of 270.76 g/mol. Its IUPAC name is 5-chloro-4-N-(1-cyclopropylethyl)-4-N-(2-methoxyethyl)pyrimidine-2,4-diamine.

Molecular Properties

Compound Name5-chloro-4-N-(1-cyclopropylethyl)-4-N-(2-methoxyethyl)pyrimidine-2,4-diamine
PubChem CID80821177
Molecular FormulaC12H19ClN4O
Molecular Weight270.76 g/mol
Exact Mass270.12
IUPAC Name5-chloro-4-N-(1-cyclopropylethyl)-4-N-(2-methoxyethyl)pyrimidine-2,4-diamine
SMILESCOCCN(c1nc(N)ncc1Cl)C(C)C1CC1
InChIInChI=1S/C12H19ClN4O/c1-8(9-3-4-9)17(5-6-18-2)11-10(13)7-15-12(14)16-11/h7-9H,3-6H2,1-2H3,(H2,14,15,16)
InChIKeyIARVBZVMSMAADP-UHFFFAOYSA-N
XLogP1.96
TPSA64.27 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 ≤ 51.96
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 5-chloro-4-N-(1-cyclopropylethyl)-4-N-(2-methoxyethyl)pyrimidine-2,4-diamine?
The IUPAC name of 5-chloro-4-N-(1-cyclopropylethyl)-4-N-(2-methoxyethyl)pyrimidine-2,4-diamine (CID 80821177) is 5-chloro-4-N-(1-cyclopropylethyl)-4-N-(2-methoxyethyl)pyrimidine-2,4-diamine.
What is the SMILES notation for 5-chloro-4-N-(1-cyclopropylethyl)-4-N-(2-methoxyethyl)pyrimidine-2,4-diamine?
The canonical SMILES for 5-chloro-4-N-(1-cyclopropylethyl)-4-N-(2-methoxyethyl)pyrimidine-2,4-diamine is COCCN(c1nc(N)ncc1Cl)C(C)C1CC1.
What is the InChIKey of 5-chloro-4-N-(1-cyclopropylethyl)-4-N-(2-methoxyethyl)pyrimidine-2,4-diamine?
The InChIKey is IARVBZVMSMAADP-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H19ClN4O/c1-8(9-3-4-9)17(5-6-18-2)11-10(13)7-15-12(14)16-11/h7-9H,3-6H2,1-2H3,(H2,14,15,16).
What are the key properties of 5-chloro-4-N-(1-cyclopropylethyl)-4-N-(2-methoxyethyl)pyrimidine-2,4-diamine?
5-chloro-4-N-(1-cyclopropylethyl)-4-N-(2-methoxyethyl)pyrimidine-2,4-diamine has a molecular weight of 270.76 g/mol, XLogP of 1.96, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-chloro-4-N-(1-cyclopropylethyl)-4-N-(2-methoxyethyl)pyrimidine-2,4-diamine is sourced from PubChem (CID 80821177), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).