6-chloro-5-(methylaminomethyl)pyrimidin-4-amine

C6H9ClN4 — CID 58710440

IUPAC6-chloro-5-(methylaminomethyl)pyrimidin-4-amine
SMILESCNCc1c(N)ncnc1Cl
InChIInChI=1S/C6H9ClN4/c1-9-2-4-5(7)10-3-11-6(4)8/h3,9H,2H2,1H3,(H2,8,10,11)
InChIKeyUZNDCWSXSMIJMG-UHFFFAOYSA-N
MW172.62 g/mol
LogP0.43
Rot. Bonds2

About 6-chloro-5-(methylaminomethyl)pyrimidin-4-amine

6-chloro-5-(methylaminomethyl)pyrimidin-4-amine (PubChem CID 58710440) has the molecular formula C6H9ClN4 and a molecular weight of 172.62 g/mol. Its IUPAC name is 6-chloro-5-(methylaminomethyl)pyrimidin-4-amine.

Molecular Properties

Compound Name6-chloro-5-(methylaminomethyl)pyrimidin-4-amine
PubChem CID58710440
Molecular FormulaC6H9ClN4
Molecular Weight172.62 g/mol
Exact Mass172.05
IUPAC Name6-chloro-5-(methylaminomethyl)pyrimidin-4-amine
SMILESCNCc1c(N)ncnc1Cl
InChIInChI=1S/C6H9ClN4/c1-9-2-4-5(7)10-3-11-6(4)8/h3,9H,2H2,1H3,(H2,8,10,11)
InChIKeyUZNDCWSXSMIJMG-UHFFFAOYSA-N
XLogP0.43
TPSA63.83 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500172.62
LogP ≤ 50.43
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 6-chloro-5-(methylaminomethyl)pyrimidin-4-amine?
The IUPAC name of 6-chloro-5-(methylaminomethyl)pyrimidin-4-amine (CID 58710440) is 6-chloro-5-(methylaminomethyl)pyrimidin-4-amine.
What is the SMILES notation for 6-chloro-5-(methylaminomethyl)pyrimidin-4-amine?
The canonical SMILES for 6-chloro-5-(methylaminomethyl)pyrimidin-4-amine is CNCc1c(N)ncnc1Cl.
What is the InChIKey of 6-chloro-5-(methylaminomethyl)pyrimidin-4-amine?
The InChIKey is UZNDCWSXSMIJMG-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H9ClN4/c1-9-2-4-5(7)10-3-11-6(4)8/h3,9H,2H2,1H3,(H2,8,10,11).
What are the key properties of 6-chloro-5-(methylaminomethyl)pyrimidin-4-amine?
6-chloro-5-(methylaminomethyl)pyrimidin-4-amine has a molecular weight of 172.62 g/mol, XLogP of 0.43, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-chloro-5-(methylaminomethyl)pyrimidin-4-amine is sourced from PubChem (CID 58710440), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).