6-chloro-5-(diethylaminomethyl)-2-methylpyrimidin-4-amine

C10H17ClN4 — CID 134987080

IUPAC6-chloro-5-(diethylaminomethyl)-2-methylpyrimidin-4-amine
SMILESCCN(CC)Cc1c(N)nc(C)nc1Cl
InChIInChI=1S/C10H17ClN4/c1-4-15(5-2)6-8-9(11)13-7(3)14-10(8)12/h4-6H2,1-3H3,(H2,12,13,14)
InChIKeyCPPWFBWYHDUEJQ-UHFFFAOYSA-N
MW228.73 g/mol
LogP1.86
Rot. Bonds4

About 6-chloro-5-(diethylaminomethyl)-2-methylpyrimidin-4-amine

6-chloro-5-(diethylaminomethyl)-2-methylpyrimidin-4-amine (PubChem CID 134987080) has the molecular formula C10H17ClN4 and a molecular weight of 228.73 g/mol. Its IUPAC name is 6-chloro-5-(diethylaminomethyl)-2-methylpyrimidin-4-amine.

Molecular Properties

Compound Name6-chloro-5-(diethylaminomethyl)-2-methylpyrimidin-4-amine
PubChem CID134987080
Molecular FormulaC10H17ClN4
Molecular Weight228.73 g/mol
Exact Mass228.11
IUPAC Name6-chloro-5-(diethylaminomethyl)-2-methylpyrimidin-4-amine
SMILESCCN(CC)Cc1c(N)nc(C)nc1Cl
InChIInChI=1S/C10H17ClN4/c1-4-15(5-2)6-8-9(11)13-7(3)14-10(8)12/h4-6H2,1-3H3,(H2,12,13,14)
InChIKeyCPPWFBWYHDUEJQ-UHFFFAOYSA-N
XLogP1.86
TPSA55.04 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500228.73
LogP ≤ 51.86
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 6-chloro-5-(diethylaminomethyl)-2-methylpyrimidin-4-amine?
The IUPAC name of 6-chloro-5-(diethylaminomethyl)-2-methylpyrimidin-4-amine (CID 134987080) is 6-chloro-5-(diethylaminomethyl)-2-methylpyrimidin-4-amine.
What is the SMILES notation for 6-chloro-5-(diethylaminomethyl)-2-methylpyrimidin-4-amine?
The canonical SMILES for 6-chloro-5-(diethylaminomethyl)-2-methylpyrimidin-4-amine is CCN(CC)Cc1c(N)nc(C)nc1Cl.
What is the InChIKey of 6-chloro-5-(diethylaminomethyl)-2-methylpyrimidin-4-amine?
The InChIKey is CPPWFBWYHDUEJQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H17ClN4/c1-4-15(5-2)6-8-9(11)13-7(3)14-10(8)12/h4-6H2,1-3H3,(H2,12,13,14).
What are the key properties of 6-chloro-5-(diethylaminomethyl)-2-methylpyrimidin-4-amine?
6-chloro-5-(diethylaminomethyl)-2-methylpyrimidin-4-amine has a molecular weight of 228.73 g/mol, XLogP of 1.86, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-chloro-5-(diethylaminomethyl)-2-methylpyrimidin-4-amine is sourced from PubChem (CID 134987080), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).