6-(3-aminocyclobutyl)-N-[(3,5-dimethylpyrazolidin-4-yl)methyl]-N-methylpyrimidin-4-amine

C15H26N6 — CID 133268536

IUPAC6-(3-aminocyclobutyl)-N-[(3,5-dimethylpyrazolidin-4-yl)methyl]-N-methylpyrimidin-4-amine
SMILESCC1NNC(C)C1CN(C)c1cc(C2CC(N)C2)ncn1
InChIInChI=1S/C15H26N6/c1-9-13(10(2)20-19-9)7-21(3)15-6-14(17-8-18-15)11-4-12(16)5-11/h6,8-13,19-20H,4-5,7,16H2,1-3H3
InChIKeyYHKBDYVHYZVUCT-UHFFFAOYSA-N
MW290.41 g/mol
LogP0.62
Rot. Bonds4

About 6-(3-aminocyclobutyl)-N-[(3,5-dimethylpyrazolidin-4-yl)methyl]-N-methylpyrimidin-4-amine

6-(3-aminocyclobutyl)-N-[(3,5-dimethylpyrazolidin-4-yl)methyl]-N-methylpyrimidin-4-amine (PubChem CID 133268536) has the molecular formula C15H26N6 and a molecular weight of 290.41 g/mol. Its IUPAC name is 6-(3-aminocyclobutyl)-N-[(3,5-dimethylpyrazolidin-4-yl)methyl]-N-methylpyrimidin-4-amine.

Molecular Properties

Compound Name6-(3-aminocyclobutyl)-N-[(3,5-dimethylpyrazolidin-4-yl)methyl]-N-methylpyrimidin-4-amine
PubChem CID133268536
Molecular FormulaC15H26N6
Molecular Weight290.41 g/mol
Exact Mass290.22
IUPAC Name6-(3-aminocyclobutyl)-N-[(3,5-dimethylpyrazolidin-4-yl)methyl]-N-methylpyrimidin-4-amine
SMILESCC1NNC(C)C1CN(C)c1cc(C2CC(N)C2)ncn1
InChIInChI=1S/C15H26N6/c1-9-13(10(2)20-19-9)7-21(3)15-6-14(17-8-18-15)11-4-12(16)5-11/h6,8-13,19-20H,4-5,7,16H2,1-3H3
InChIKeyYHKBDYVHYZVUCT-UHFFFAOYSA-N
XLogP0.62
TPSA79.10 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500290.41
LogP ≤ 50.62
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

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Related Compounds

6-(3-aminocyclobutyl)-N-[(3,5-dimethyl-1H-pyrazol-4-yl)methyl]-N-methylpyrimidin-4-amine;dihydrochloride
CID 154902391
6-(3-aminocyclobutyl)-N-[(4-fluorophenyl)methyl]-N-methylpyrimidin-4-amine;dihydrochloride
CID 154903423
6-(3-aminocyclobutyl)-N-(3-methoxypropyl)-N-methylpyrimidin-4-amine
CID 91792506
2-[[[6-(3-aminocyclobutyl)pyrimidin-4-yl]-methylamino]methyl]-2-ethylbutan-1-ol
CID 91786370
6-(3-aminocyclobutyl)-N-methyl-N-(1,3-thiazol-2-ylmethyl)pyrimidin-4-amine;dihydrochloride
CID 154902032
6-(3-aminocyclobutyl)-N-methyl-N-[2-(oxan-4-yl)ethyl]pyrimidin-4-amine;dihydrochloride
CID 154901907
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
6-(3-aminocyclobutyl)-N-(1H-benzimidazol-2-ylmethyl)-N-methylpyrimidin-4-amine;dihydrochloride
CID 154902450
6-(3-aminocyclobutyl)-N-methyl-N-(quinolin-3-ylmethyl)pyrimidin-4-amine
CID 91791964
6-(3-aminocyclobutyl)-N-[[3-(2-methoxyethyl)-1,2,4-oxadiazol-5-yl]methyl]-N-methylpyrimidin-4-amine
CID 91771811
6-(3-aminocyclobutyl)-N-[(8-methoxyquinolin-5-yl)methyl]-N-methylpyrimidin-4-amine;dihydrochloride
CID 154902558

Frequently Asked Questions

What is the IUPAC name of 6-(3-aminocyclobutyl)-N-[(3,5-dimethylpyrazolidin-4-yl)methyl]-N-methylpyrimidin-4-amine?
The IUPAC name of 6-(3-aminocyclobutyl)-N-[(3,5-dimethylpyrazolidin-4-yl)methyl]-N-methylpyrimidin-4-amine (CID 133268536) is 6-(3-aminocyclobutyl)-N-[(3,5-dimethylpyrazolidin-4-yl)methyl]-N-methylpyrimidin-4-amine.
What is the SMILES notation for 6-(3-aminocyclobutyl)-N-[(3,5-dimethylpyrazolidin-4-yl)methyl]-N-methylpyrimidin-4-amine?
The canonical SMILES for 6-(3-aminocyclobutyl)-N-[(3,5-dimethylpyrazolidin-4-yl)methyl]-N-methylpyrimidin-4-amine is CC1NNC(C)C1CN(C)c1cc(C2CC(N)C2)ncn1.
What is the InChIKey of 6-(3-aminocyclobutyl)-N-[(3,5-dimethylpyrazolidin-4-yl)methyl]-N-methylpyrimidin-4-amine?
The InChIKey is YHKBDYVHYZVUCT-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H26N6/c1-9-13(10(2)20-19-9)7-21(3)15-6-14(17-8-18-15)11-4-12(16)5-11/h6,8-13,19-20H,4-5,7,16H2,1-3H3.
What are the key properties of 6-(3-aminocyclobutyl)-N-[(3,5-dimethylpyrazolidin-4-yl)methyl]-N-methylpyrimidin-4-amine?
6-(3-aminocyclobutyl)-N-[(3,5-dimethylpyrazolidin-4-yl)methyl]-N-methylpyrimidin-4-amine has a molecular weight of 290.41 g/mol, XLogP of 0.62, 4 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(3-aminocyclobutyl)-N-[(3,5-dimethylpyrazolidin-4-yl)methyl]-N-methylpyrimidin-4-amine is sourced from PubChem (CID 133268536), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).