6-chloro-5-(2-methoxyethyl)pyrimidine-2,4-diamine

C7H11ClN4O — CID 154171639

IUPAC6-chloro-5-(2-methoxyethyl)pyrimidine-2,4-diamine
SMILESCOCCc1c(N)nc(N)nc1Cl
InChIInChI=1S/C7H11ClN4O/c1-13-3-2-4-5(8)11-7(10)12-6(4)9/h2-3H2,1H3,(H4,9,10,11,12)
InChIKeyOTBJWOCNFYQMBZ-UHFFFAOYSA-N
MW202.65 g/mol
LogP0.48
Rot. Bonds3

About 6-chloro-5-(2-methoxyethyl)pyrimidine-2,4-diamine

6-chloro-5-(2-methoxyethyl)pyrimidine-2,4-diamine (PubChem CID 154171639) has the molecular formula C7H11ClN4O and a molecular weight of 202.65 g/mol. Its IUPAC name is 6-chloro-5-(2-methoxyethyl)pyrimidine-2,4-diamine.

Molecular Properties

Compound Name6-chloro-5-(2-methoxyethyl)pyrimidine-2,4-diamine
PubChem CID154171639
Molecular FormulaC7H11ClN4O
Molecular Weight202.65 g/mol
Exact Mass202.06
IUPAC Name6-chloro-5-(2-methoxyethyl)pyrimidine-2,4-diamine
SMILESCOCCc1c(N)nc(N)nc1Cl
InChIInChI=1S/C7H11ClN4O/c1-13-3-2-4-5(8)11-7(10)12-6(4)9/h2-3H2,1H3,(H4,9,10,11,12)
InChIKeyOTBJWOCNFYQMBZ-UHFFFAOYSA-N
XLogP0.48
TPSA87.05 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500202.65
LogP ≤ 50.48
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 6-chloro-5-(2-methoxyethyl)pyrimidine-2,4-diamine?
The IUPAC name of 6-chloro-5-(2-methoxyethyl)pyrimidine-2,4-diamine (CID 154171639) is 6-chloro-5-(2-methoxyethyl)pyrimidine-2,4-diamine.
What is the SMILES notation for 6-chloro-5-(2-methoxyethyl)pyrimidine-2,4-diamine?
The canonical SMILES for 6-chloro-5-(2-methoxyethyl)pyrimidine-2,4-diamine is COCCc1c(N)nc(N)nc1Cl.
What is the InChIKey of 6-chloro-5-(2-methoxyethyl)pyrimidine-2,4-diamine?
The InChIKey is OTBJWOCNFYQMBZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H11ClN4O/c1-13-3-2-4-5(8)11-7(10)12-6(4)9/h2-3H2,1H3,(H4,9,10,11,12).
What are the key properties of 6-chloro-5-(2-methoxyethyl)pyrimidine-2,4-diamine?
6-chloro-5-(2-methoxyethyl)pyrimidine-2,4-diamine has a molecular weight of 202.65 g/mol, XLogP of 0.48, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6-chloro-5-(2-methoxyethyl)pyrimidine-2,4-diamine is sourced from PubChem (CID 154171639), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).