6-(3-aminocyclobutyl)-N-methyl-N-(1,3-thiazol-2-ylmethyl)pyrimidin-4-amine;dihydrochloride

C13H19Cl2N5S — CID 154902032

IUPAC6-(3-aminocyclobutyl)-N-methyl-N-(1,3-thiazol-2-ylmethyl)pyrimidin-4-amine;dihydrochloride
SMILESCN(Cc1nccs1)c1cc(C2CC(N)C2)ncn1.Cl.Cl
InChIInChI=1S/C13H17N5S.2ClH/c1-18(7-13-15-2-3-19-13)12-6-11(16-8-17-12)9-4-10(14)5-9;;/h2-3,6,8-10H,4-5,7,14H2,1H3;2*1H
InChIKeyLCZCSJTUIFLUCQ-UHFFFAOYSA-N
MW348.30 g/mol
LogP2.62
Rot. Bonds4

About 6-(3-aminocyclobutyl)-N-methyl-N-(1,3-thiazol-2-ylmethyl)pyrimidin-4-amine;dihydrochloride

6-(3-aminocyclobutyl)-N-methyl-N-(1,3-thiazol-2-ylmethyl)pyrimidin-4-amine;dihydrochloride (PubChem CID 154902032) has the molecular formula C13H19Cl2N5S and a molecular weight of 348.30 g/mol. Its IUPAC name is 6-(3-aminocyclobutyl)-N-methyl-N-(1,3-thiazol-2-ylmethyl)pyrimidin-4-amine;dihydrochloride.

Molecular Properties

Compound Name6-(3-aminocyclobutyl)-N-methyl-N-(1,3-thiazol-2-ylmethyl)pyrimidin-4-amine;dihydrochloride
PubChem CID154902032
Molecular FormulaC13H19Cl2N5S
Molecular Weight348.30 g/mol
Exact Mass347.07
IUPAC Name6-(3-aminocyclobutyl)-N-methyl-N-(1,3-thiazol-2-ylmethyl)pyrimidin-4-amine;dihydrochloride
SMILESCN(Cc1nccs1)c1cc(C2CC(N)C2)ncn1.Cl.Cl
InChIInChI=1S/C13H17N5S.2ClH/c1-18(7-13-15-2-3-19-13)12-6-11(16-8-17-12)9-4-10(14)5-9;;/h2-3,6,8-10H,4-5,7,14H2,1H3;2*1H
InChIKeyLCZCSJTUIFLUCQ-UHFFFAOYSA-N
XLogP2.62
TPSA67.93 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500348.30
LogP ≤ 52.62
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

6-(3-aminocyclobutyl)-4-N-methyl-4-N-(1,3-thiazol-2-ylmethyl)pyrimidine-2,4-diamine;dihydrochloride
CID 154902159
4-N,6-N-dimethyl-4-N,6-N-bis(1,3-thiazol-2-ylmethyl)pyrimidine-4,6-diamine
CID 75524467
6-(3-aminocyclobutyl)-N-[(4-fluorophenyl)methyl]-N-methylpyrimidin-4-amine;dihydrochloride
CID 154903423
6-(3-aminocyclobutyl)-N-[(3,5-dimethyl-1H-pyrazol-4-yl)methyl]-N-methylpyrimidin-4-amine;dihydrochloride
CID 154902391
6-(3-aminocyclobutyl)-N-methyl-N-[[2-(methylamino)pyrimidin-5-yl]methyl]pyrimidin-4-amine;dihydrochloride
CID 154903096
6-(3-aminocyclobutyl)-N-[(5-cyclopropyl-1,2-oxazol-3-yl)methyl]-N-methylpyrimidin-4-amine;dihydrochloride
CID 154902047
2-[[[6-(3-aminocyclobutyl)pyrimidin-4-yl]-methylamino]methyl]-2-ethylbutan-1-ol
CID 91786370
6-(3-aminocyclobutyl)-N-[(8-methoxyquinolin-5-yl)methyl]-N-methylpyrimidin-4-amine;dihydrochloride
CID 154902558
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

Frequently Asked Questions

What is the IUPAC name of 6-(3-aminocyclobutyl)-N-methyl-N-(1,3-thiazol-2-ylmethyl)pyrimidin-4-amine;dihydrochloride?
The IUPAC name of 6-(3-aminocyclobutyl)-N-methyl-N-(1,3-thiazol-2-ylmethyl)pyrimidin-4-amine;dihydrochloride (CID 154902032) is 6-(3-aminocyclobutyl)-N-methyl-N-(1,3-thiazol-2-ylmethyl)pyrimidin-4-amine;dihydrochloride.
What is the SMILES notation for 6-(3-aminocyclobutyl)-N-methyl-N-(1,3-thiazol-2-ylmethyl)pyrimidin-4-amine;dihydrochloride?
The canonical SMILES for 6-(3-aminocyclobutyl)-N-methyl-N-(1,3-thiazol-2-ylmethyl)pyrimidin-4-amine;dihydrochloride is CN(Cc1nccs1)c1cc(C2CC(N)C2)ncn1.Cl.Cl.
What is the InChIKey of 6-(3-aminocyclobutyl)-N-methyl-N-(1,3-thiazol-2-ylmethyl)pyrimidin-4-amine;dihydrochloride?
The InChIKey is LCZCSJTUIFLUCQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H17N5S.2ClH/c1-18(7-13-15-2-3-19-13)12-6-11(16-8-17-12)9-4-10(14)5-9;;/h2-3,6,8-10H,4-5,7,14H2,1H3;2*1H.
What are the key properties of 6-(3-aminocyclobutyl)-N-methyl-N-(1,3-thiazol-2-ylmethyl)pyrimidin-4-amine;dihydrochloride?
6-(3-aminocyclobutyl)-N-methyl-N-(1,3-thiazol-2-ylmethyl)pyrimidin-4-amine;dihydrochloride has a molecular weight of 348.30 g/mol, XLogP of 2.62, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(3-aminocyclobutyl)-N-methyl-N-(1,3-thiazol-2-ylmethyl)pyrimidin-4-amine;dihydrochloride is sourced from PubChem (CID 154902032), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).