6-(3-aminocyclobutyl)-N-[(3,5-dimethyl-1H-pyrazol-4-yl)methyl]-N-methylpyrimidin-4-amine;dihydrochloride

C15H24Cl2N6 — CID 154902391

IUPAC6-(3-aminocyclobutyl)-N-[(3,5-dimethyl-1H-pyrazol-4-yl)methyl]-N-methylpyrimidin-4-amine;dihydrochloride
SMILESCc1n[nH]c(C)c1CN(C)c1cc(C2CC(N)C2)ncn1.Cl.Cl
InChIInChI=1S/C15H22N6.2ClH/c1-9-13(10(2)20-19-9)7-21(3)15-6-14(17-8-18-15)11-4-12(16)5-11;;/h6,8,11-12H,4-5,7,16H2,1-3H3,(H,19,20);2*1H
InChIKeyQYCXJARNJMWMHU-UHFFFAOYSA-N
MW359.31 g/mol
LogP2.50
Rot. Bonds4

About 6-(3-aminocyclobutyl)-N-[(3,5-dimethyl-1H-pyrazol-4-yl)methyl]-N-methylpyrimidin-4-amine;dihydrochloride

6-(3-aminocyclobutyl)-N-[(3,5-dimethyl-1H-pyrazol-4-yl)methyl]-N-methylpyrimidin-4-amine;dihydrochloride (PubChem CID 154902391) has the molecular formula C15H24Cl2N6 and a molecular weight of 359.31 g/mol. Its IUPAC name is 6-(3-aminocyclobutyl)-N-[(3,5-dimethyl-1H-pyrazol-4-yl)methyl]-N-methylpyrimidin-4-amine;dihydrochloride.

Molecular Properties

Compound Name6-(3-aminocyclobutyl)-N-[(3,5-dimethyl-1H-pyrazol-4-yl)methyl]-N-methylpyrimidin-4-amine;dihydrochloride
PubChem CID154902391
Molecular FormulaC15H24Cl2N6
Molecular Weight359.31 g/mol
Exact Mass358.14
IUPAC Name6-(3-aminocyclobutyl)-N-[(3,5-dimethyl-1H-pyrazol-4-yl)methyl]-N-methylpyrimidin-4-amine;dihydrochloride
SMILESCc1n[nH]c(C)c1CN(C)c1cc(C2CC(N)C2)ncn1.Cl.Cl
InChIInChI=1S/C15H22N6.2ClH/c1-9-13(10(2)20-19-9)7-21(3)15-6-14(17-8-18-15)11-4-12(16)5-11;;/h6,8,11-12H,4-5,7,16H2,1-3H3,(H,19,20);2*1H
InChIKeyQYCXJARNJMWMHU-UHFFFAOYSA-N
XLogP2.50
TPSA83.72 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500359.31
LogP ≤ 52.50
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

6-(3-aminocyclobutyl)-N-[(4-fluorophenyl)methyl]-N-methylpyrimidin-4-amine;dihydrochloride
CID 154903423
6-(3-aminocyclobutyl)-N-methyl-N-(1,3-thiazol-2-ylmethyl)pyrimidin-4-amine;dihydrochloride
CID 154902032
6-(3-aminocyclobutyl)-N-[(3,5-dimethylpyrazolidin-4-yl)methyl]-N-methylpyrimidin-4-amine
CID 133268536
6-(3-aminocyclobutyl)-N-methyl-N-[[2-(methylamino)pyrimidin-5-yl]methyl]pyrimidin-4-amine;dihydrochloride
CID 154903096
2-[[[6-(3-aminocyclobutyl)pyrimidin-4-yl]-methylamino]methyl]-2-ethylbutan-1-ol
CID 91786370
6-(3-aminocyclobutyl)-N-[(5-cyclopropyl-1,2-oxazol-3-yl)methyl]-N-methylpyrimidin-4-amine;dihydrochloride
CID 154902047
6-(3-aminocyclobutyl)-2-cyclopropyl-N-[2-(3,5-dimethyl-1H-pyrazol-4-yl)ethyl]-N-methylpyrimidin-4-amine;dihydrochloride
CID 154902493
6-(3-aminocyclobutyl)-N-(1H-benzimidazol-2-ylmethyl)-N-methylpyrimidin-4-amine;dihydrochloride
CID 154902450
N-[2-(3,5-dimethyl-1H-pyrazol-4-yl)ethyl]-N-methyl-6-(oxolan-3-yl)pyrimidin-4-amine
CID 118778875
6-(3-aminocyclobutyl)-N-(3-methoxypropyl)-N-methylpyrimidin-4-amine
CID 91792506
6-(3-aminocyclobutyl)-N-methyl-N-[2-(oxan-4-yl)ethyl]pyrimidin-4-amine;dihydrochloride
CID 154901907
6-(3-aminocyclobutyl)-N-methyl-N-(quinolin-3-ylmethyl)pyrimidin-4-amine
CID 91791964

Frequently Asked Questions

What is the IUPAC name of 6-(3-aminocyclobutyl)-N-[(3,5-dimethyl-1H-pyrazol-4-yl)methyl]-N-methylpyrimidin-4-amine;dihydrochloride?
The IUPAC name of 6-(3-aminocyclobutyl)-N-[(3,5-dimethyl-1H-pyrazol-4-yl)methyl]-N-methylpyrimidin-4-amine;dihydrochloride (CID 154902391) is 6-(3-aminocyclobutyl)-N-[(3,5-dimethyl-1H-pyrazol-4-yl)methyl]-N-methylpyrimidin-4-amine;dihydrochloride.
What is the SMILES notation for 6-(3-aminocyclobutyl)-N-[(3,5-dimethyl-1H-pyrazol-4-yl)methyl]-N-methylpyrimidin-4-amine;dihydrochloride?
The canonical SMILES for 6-(3-aminocyclobutyl)-N-[(3,5-dimethyl-1H-pyrazol-4-yl)methyl]-N-methylpyrimidin-4-amine;dihydrochloride is Cc1n[nH]c(C)c1CN(C)c1cc(C2CC(N)C2)ncn1.Cl.Cl.
What is the InChIKey of 6-(3-aminocyclobutyl)-N-[(3,5-dimethyl-1H-pyrazol-4-yl)methyl]-N-methylpyrimidin-4-amine;dihydrochloride?
The InChIKey is QYCXJARNJMWMHU-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H22N6.2ClH/c1-9-13(10(2)20-19-9)7-21(3)15-6-14(17-8-18-15)11-4-12(16)5-11;;/h6,8,11-12H,4-5,7,16H2,1-3H3,(H,19,20);2*1H.
What are the key properties of 6-(3-aminocyclobutyl)-N-[(3,5-dimethyl-1H-pyrazol-4-yl)methyl]-N-methylpyrimidin-4-amine;dihydrochloride?
6-(3-aminocyclobutyl)-N-[(3,5-dimethyl-1H-pyrazol-4-yl)methyl]-N-methylpyrimidin-4-amine;dihydrochloride has a molecular weight of 359.31 g/mol, XLogP of 2.50, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(3-aminocyclobutyl)-N-[(3,5-dimethyl-1H-pyrazol-4-yl)methyl]-N-methylpyrimidin-4-amine;dihydrochloride is sourced from PubChem (CID 154902391), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).