6-(3-aminocyclobutyl)-2-methyl-N-[2-(3-methylpyrazol-1-yl)ethyl]pyrimidin-4-amine;dihydrochloride

C15H24Cl2N6 — CID 154902254

IUPAC6-(3-aminocyclobutyl)-2-methyl-N-[2-(3-methylpyrazol-1-yl)ethyl]pyrimidin-4-amine;dihydrochloride
SMILESCc1ccn(CCNc2cc(C3CC(N)C3)nc(C)n2)n1.Cl.Cl
InChIInChI=1S/C15H22N6.2ClH/c1-10-3-5-21(20-10)6-4-17-15-9-14(18-11(2)19-15)12-7-13(16)8-12;;/h3,5,9,12-13H,4,6-8,16H2,1-2H3,(H,17,18,19);2*1H
InChIKeyXFPHXDWWFUBEFN-UHFFFAOYSA-N
MW359.31 g/mol
LogP2.45
Rot. Bonds5

About 6-(3-aminocyclobutyl)-2-methyl-N-[2-(3-methylpyrazol-1-yl)ethyl]pyrimidin-4-amine;dihydrochloride

6-(3-aminocyclobutyl)-2-methyl-N-[2-(3-methylpyrazol-1-yl)ethyl]pyrimidin-4-amine;dihydrochloride (PubChem CID 154902254) has the molecular formula C15H24Cl2N6 and a molecular weight of 359.31 g/mol. Its IUPAC name is 6-(3-aminocyclobutyl)-2-methyl-N-[2-(3-methylpyrazol-1-yl)ethyl]pyrimidin-4-amine;dihydrochloride.

Molecular Properties

Compound Name6-(3-aminocyclobutyl)-2-methyl-N-[2-(3-methylpyrazol-1-yl)ethyl]pyrimidin-4-amine;dihydrochloride
PubChem CID154902254
Molecular FormulaC15H24Cl2N6
Molecular Weight359.31 g/mol
Exact Mass358.14
IUPAC Name6-(3-aminocyclobutyl)-2-methyl-N-[2-(3-methylpyrazol-1-yl)ethyl]pyrimidin-4-amine;dihydrochloride
SMILESCc1ccn(CCNc2cc(C3CC(N)C3)nc(C)n2)n1.Cl.Cl
InChIInChI=1S/C15H22N6.2ClH/c1-10-3-5-21(20-10)6-4-17-15-9-14(18-11(2)19-15)12-7-13(16)8-12;;/h3,5,9,12-13H,4,6-8,16H2,1-2H3,(H,17,18,19);2*1H
InChIKeyXFPHXDWWFUBEFN-UHFFFAOYSA-N
XLogP2.45
TPSA81.65 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500359.31
LogP ≤ 52.45
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 6-(3-aminocyclobutyl)-2-methyl-N-[2-(3-methylpyrazol-1-yl)ethyl]pyrimidin-4-amine;dihydrochloride?
The IUPAC name of 6-(3-aminocyclobutyl)-2-methyl-N-[2-(3-methylpyrazol-1-yl)ethyl]pyrimidin-4-amine;dihydrochloride (CID 154902254) is 6-(3-aminocyclobutyl)-2-methyl-N-[2-(3-methylpyrazol-1-yl)ethyl]pyrimidin-4-amine;dihydrochloride.
What is the SMILES notation for 6-(3-aminocyclobutyl)-2-methyl-N-[2-(3-methylpyrazol-1-yl)ethyl]pyrimidin-4-amine;dihydrochloride?
The canonical SMILES for 6-(3-aminocyclobutyl)-2-methyl-N-[2-(3-methylpyrazol-1-yl)ethyl]pyrimidin-4-amine;dihydrochloride is Cc1ccn(CCNc2cc(C3CC(N)C3)nc(C)n2)n1.Cl.Cl.
What is the InChIKey of 6-(3-aminocyclobutyl)-2-methyl-N-[2-(3-methylpyrazol-1-yl)ethyl]pyrimidin-4-amine;dihydrochloride?
The InChIKey is XFPHXDWWFUBEFN-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H22N6.2ClH/c1-10-3-5-21(20-10)6-4-17-15-9-14(18-11(2)19-15)12-7-13(16)8-12;;/h3,5,9,12-13H,4,6-8,16H2,1-2H3,(H,17,18,19);2*1H.
What are the key properties of 6-(3-aminocyclobutyl)-2-methyl-N-[2-(3-methylpyrazol-1-yl)ethyl]pyrimidin-4-amine;dihydrochloride?
6-(3-aminocyclobutyl)-2-methyl-N-[2-(3-methylpyrazol-1-yl)ethyl]pyrimidin-4-amine;dihydrochloride has a molecular weight of 359.31 g/mol, XLogP of 2.45, 5 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(3-aminocyclobutyl)-2-methyl-N-[2-(3-methylpyrazol-1-yl)ethyl]pyrimidin-4-amine;dihydrochloride is sourced from PubChem (CID 154902254), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).