4-chloro-1,6-dimethyl-2H-pyrimidin-2-amine

C6H10ClN3 — CID 174572368

IUPAC4-chloro-1,6-dimethyl-2H-pyrimidin-2-amine
SMILESCC1=CC(Cl)=NC(N)N1C
InChIInChI=1S/C6H10ClN3/c1-4-3-5(7)9-6(8)10(4)2/h3,6H,8H2,1-2H3
InChIKeyXWPNSTRDTZMFNJ-UHFFFAOYSA-N
MW159.62 g/mol
LogP0.72
Rot. Bonds

About 4-chloro-1,6-dimethyl-2H-pyrimidin-2-amine

4-chloro-1,6-dimethyl-2H-pyrimidin-2-amine (PubChem CID 174572368) has the molecular formula C6H10ClN3 and a molecular weight of 159.62 g/mol. Its IUPAC name is 4-chloro-1,6-dimethyl-2H-pyrimidin-2-amine.

Molecular Properties

Compound Name4-chloro-1,6-dimethyl-2H-pyrimidin-2-amine
PubChem CID174572368
Molecular FormulaC6H10ClN3
Molecular Weight159.62 g/mol
Exact Mass159.06
IUPAC Name4-chloro-1,6-dimethyl-2H-pyrimidin-2-amine
SMILESCC1=CC(Cl)=NC(N)N1C
InChIInChI=1S/C6H10ClN3/c1-4-3-5(7)9-6(8)10(4)2/h3,6H,8H2,1-2H3
InChIKeyXWPNSTRDTZMFNJ-UHFFFAOYSA-N
XLogP0.72
TPSA41.62 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500159.62
LogP ≤ 50.72
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 4-chloro-1,6-dimethyl-2H-pyrimidin-2-amine?
The IUPAC name of 4-chloro-1,6-dimethyl-2H-pyrimidin-2-amine (CID 174572368) is 4-chloro-1,6-dimethyl-2H-pyrimidin-2-amine.
What is the SMILES notation for 4-chloro-1,6-dimethyl-2H-pyrimidin-2-amine?
The canonical SMILES for 4-chloro-1,6-dimethyl-2H-pyrimidin-2-amine is CC1=CC(Cl)=NC(N)N1C.
What is the InChIKey of 4-chloro-1,6-dimethyl-2H-pyrimidin-2-amine?
The InChIKey is XWPNSTRDTZMFNJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H10ClN3/c1-4-3-5(7)9-6(8)10(4)2/h3,6H,8H2,1-2H3.
What are the key properties of 4-chloro-1,6-dimethyl-2H-pyrimidin-2-amine?
4-chloro-1,6-dimethyl-2H-pyrimidin-2-amine has a molecular weight of 159.62 g/mol, XLogP of 0.72, 0 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-chloro-1,6-dimethyl-2H-pyrimidin-2-amine is sourced from PubChem (CID 174572368), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).