6-(3-aminocyclobutyl)-N-methyl-N-[[2-(methylamino)pyrimidin-5-yl]methyl]pyrimidin-4-amine;dihydrochloride

C15H23Cl2N7 — CID 154903096

IUPAC6-(3-aminocyclobutyl)-N-methyl-N-[[2-(methylamino)pyrimidin-5-yl]methyl]pyrimidin-4-amine;dihydrochloride
SMILESCNc1ncc(CN(C)c2cc(C3CC(N)C3)ncn2)cn1.Cl.Cl
InChIInChI=1S/C15H21N7.2ClH/c1-17-15-18-6-10(7-19-15)8-22(2)14-5-13(20-9-21-14)11-3-12(16)4-11;;/h5-7,9,11-12H,3-4,8,16H2,1-2H3,(H,17,18,19);2*1H
InChIKeyZKDNEYJOQGKHQS-UHFFFAOYSA-N
MW372.30 g/mol
LogP1.99
Rot. Bonds5

About 6-(3-aminocyclobutyl)-N-methyl-N-[[2-(methylamino)pyrimidin-5-yl]methyl]pyrimidin-4-amine;dihydrochloride

6-(3-aminocyclobutyl)-N-methyl-N-[[2-(methylamino)pyrimidin-5-yl]methyl]pyrimidin-4-amine;dihydrochloride (PubChem CID 154903096) has the molecular formula C15H23Cl2N7 and a molecular weight of 372.30 g/mol. Its IUPAC name is 6-(3-aminocyclobutyl)-N-methyl-N-[[2-(methylamino)pyrimidin-5-yl]methyl]pyrimidin-4-amine;dihydrochloride.

Molecular Properties

Compound Name6-(3-aminocyclobutyl)-N-methyl-N-[[2-(methylamino)pyrimidin-5-yl]methyl]pyrimidin-4-amine;dihydrochloride
PubChem CID154903096
Molecular FormulaC15H23Cl2N7
Molecular Weight372.30 g/mol
Exact Mass371.14
IUPAC Name6-(3-aminocyclobutyl)-N-methyl-N-[[2-(methylamino)pyrimidin-5-yl]methyl]pyrimidin-4-amine;dihydrochloride
SMILESCNc1ncc(CN(C)c2cc(C3CC(N)C3)ncn2)cn1.Cl.Cl
InChIInChI=1S/C15H21N7.2ClH/c1-17-15-18-6-10(7-19-15)8-22(2)14-5-13(20-9-21-14)11-3-12(16)4-11;;/h5-7,9,11-12H,3-4,8,16H2,1-2H3,(H,17,18,19);2*1H
InChIKeyZKDNEYJOQGKHQS-UHFFFAOYSA-N
XLogP1.99
TPSA92.85 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500372.30
LogP ≤ 51.99
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

Analyze 6-(3-aminocyclobutyl)-N-methyl-N-[[2-(methylamino)pyrimidin-5-yl]methyl]pyrimidin-4-amine;dihydrochloride with MolForge

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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-(quinolin-3-ylmethyl)pyrimidin-4-amine
CID 91791964
6-(3-aminocyclobutyl)-N-methyl-N-(1,3-thiazol-2-ylmethyl)pyrimidin-4-amine;dihydrochloride
CID 154902032
6-(3-aminocyclobutyl)-N-[(3,5-dimethyl-1H-pyrazol-4-yl)methyl]-N-methylpyrimidin-4-amine;dihydrochloride
CID 154902391
6-(3-aminocyclobutyl)-N-[(5-cyclopropyl-1,2-oxazol-3-yl)methyl]-N-methylpyrimidin-4-amine;dihydrochloride
CID 154902047
6-(3-aminocyclobutyl)-N-[(3,5-dimethylpyrazolidin-4-yl)methyl]-N-methylpyrimidin-4-amine
CID 133268536
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-(1H-benzimidazol-2-ylmethyl)-N-methylpyrimidin-4-amine;dihydrochloride
CID 154902450
3-[6-[benzyl(methyl)amino]pyrimidin-4-yl]cyclobutan-1-ol
CID 91775340
6-(3-aminocyclobutyl)-N-[(8-methoxyquinolin-5-yl)methyl]-N-methylpyrimidin-4-amine;dihydrochloride
CID 154902558
2-[[[6-(3-aminocyclobutyl)pyrimidin-4-yl]-methylamino]methyl]-2-ethylbutan-1-ol
CID 91786370

Frequently Asked Questions

What is the IUPAC name of 6-(3-aminocyclobutyl)-N-methyl-N-[[2-(methylamino)pyrimidin-5-yl]methyl]pyrimidin-4-amine;dihydrochloride?
The IUPAC name of 6-(3-aminocyclobutyl)-N-methyl-N-[[2-(methylamino)pyrimidin-5-yl]methyl]pyrimidin-4-amine;dihydrochloride (CID 154903096) is 6-(3-aminocyclobutyl)-N-methyl-N-[[2-(methylamino)pyrimidin-5-yl]methyl]pyrimidin-4-amine;dihydrochloride.
What is the SMILES notation for 6-(3-aminocyclobutyl)-N-methyl-N-[[2-(methylamino)pyrimidin-5-yl]methyl]pyrimidin-4-amine;dihydrochloride?
The canonical SMILES for 6-(3-aminocyclobutyl)-N-methyl-N-[[2-(methylamino)pyrimidin-5-yl]methyl]pyrimidin-4-amine;dihydrochloride is CNc1ncc(CN(C)c2cc(C3CC(N)C3)ncn2)cn1.Cl.Cl.
What is the InChIKey of 6-(3-aminocyclobutyl)-N-methyl-N-[[2-(methylamino)pyrimidin-5-yl]methyl]pyrimidin-4-amine;dihydrochloride?
The InChIKey is ZKDNEYJOQGKHQS-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H21N7.2ClH/c1-17-15-18-6-10(7-19-15)8-22(2)14-5-13(20-9-21-14)11-3-12(16)4-11;;/h5-7,9,11-12H,3-4,8,16H2,1-2H3,(H,17,18,19);2*1H.
What are the key properties of 6-(3-aminocyclobutyl)-N-methyl-N-[[2-(methylamino)pyrimidin-5-yl]methyl]pyrimidin-4-amine;dihydrochloride?
6-(3-aminocyclobutyl)-N-methyl-N-[[2-(methylamino)pyrimidin-5-yl]methyl]pyrimidin-4-amine;dihydrochloride has a molecular weight of 372.30 g/mol, XLogP of 1.99, 5 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(3-aminocyclobutyl)-N-methyl-N-[[2-(methylamino)pyrimidin-5-yl]methyl]pyrimidin-4-amine;dihydrochloride is sourced from PubChem (CID 154903096), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).