4-methyl-6-[3-(methylamino)azetidin-1-yl]pyrimidin-2-amine;dihydrochloride

C9H17Cl2N5 — CID 155533425

IUPAC4-methyl-6-[3-(methylamino)azetidin-1-yl]pyrimidin-2-amine;dihydrochloride
SMILESCNC1CN(c2cc(C)nc(N)n2)C1.Cl.Cl
InChIInChI=1S/C9H15N5.2ClH/c1-6-3-8(13-9(10)12-6)14-4-7(5-14)11-2;;/h3,7,11H,4-5H2,1-2H3,(H2,10,12,13);2*1H
InChIKeyCCMYRDFTJFOPOX-UHFFFAOYSA-N
MW266.18 g/mol
LogP0.62
Rot. Bonds2

About 4-methyl-6-[3-(methylamino)azetidin-1-yl]pyrimidin-2-amine;dihydrochloride

4-methyl-6-[3-(methylamino)azetidin-1-yl]pyrimidin-2-amine;dihydrochloride (PubChem CID 155533425) has the molecular formula C9H17Cl2N5 and a molecular weight of 266.18 g/mol. Its IUPAC name is 4-methyl-6-[3-(methylamino)azetidin-1-yl]pyrimidin-2-amine;dihydrochloride.

Molecular Properties

Compound Name4-methyl-6-[3-(methylamino)azetidin-1-yl]pyrimidin-2-amine;dihydrochloride
PubChem CID155533425
Molecular FormulaC9H17Cl2N5
Molecular Weight266.18 g/mol
Exact Mass265.09
IUPAC Name4-methyl-6-[3-(methylamino)azetidin-1-yl]pyrimidin-2-amine;dihydrochloride
SMILESCNC1CN(c2cc(C)nc(N)n2)C1.Cl.Cl
InChIInChI=1S/C9H15N5.2ClH/c1-6-3-8(13-9(10)12-6)14-4-7(5-14)11-2;;/h3,7,11H,4-5H2,1-2H3,(H2,10,12,13);2*1H
InChIKeyCCMYRDFTJFOPOX-UHFFFAOYSA-N
XLogP0.62
TPSA67.07 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500266.18
LogP ≤ 50.62
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 4-methyl-6-[3-(methylamino)azetidin-1-yl]pyrimidin-2-amine;dihydrochloride?
The IUPAC name of 4-methyl-6-[3-(methylamino)azetidin-1-yl]pyrimidin-2-amine;dihydrochloride (CID 155533425) is 4-methyl-6-[3-(methylamino)azetidin-1-yl]pyrimidin-2-amine;dihydrochloride.
What is the SMILES notation for 4-methyl-6-[3-(methylamino)azetidin-1-yl]pyrimidin-2-amine;dihydrochloride?
The canonical SMILES for 4-methyl-6-[3-(methylamino)azetidin-1-yl]pyrimidin-2-amine;dihydrochloride is CNC1CN(c2cc(C)nc(N)n2)C1.Cl.Cl.
What is the InChIKey of 4-methyl-6-[3-(methylamino)azetidin-1-yl]pyrimidin-2-amine;dihydrochloride?
The InChIKey is CCMYRDFTJFOPOX-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H15N5.2ClH/c1-6-3-8(13-9(10)12-6)14-4-7(5-14)11-2;;/h3,7,11H,4-5H2,1-2H3,(H2,10,12,13);2*1H.
What are the key properties of 4-methyl-6-[3-(methylamino)azetidin-1-yl]pyrimidin-2-amine;dihydrochloride?
4-methyl-6-[3-(methylamino)azetidin-1-yl]pyrimidin-2-amine;dihydrochloride has a molecular weight of 266.18 g/mol, XLogP of 0.62, 2 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methyl-6-[3-(methylamino)azetidin-1-yl]pyrimidin-2-amine;dihydrochloride is sourced from PubChem (CID 155533425), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).