4-(3-aminocyclobutyl)-6-(4-methylsulfonyl-1,4-diazepan-1-yl)pyrimidin-2-amine

C14H24N6O2S — CID 91798018

IUPAC4-(3-aminocyclobutyl)-6-(4-methylsulfonyl-1,4-diazepan-1-yl)pyrimidin-2-amine
SMILESCS(=O)(=O)N1CCCN(c2cc(C3CC(N)C3)nc(N)n2)CC1
InChIInChI=1S/C14H24N6O2S/c1-23(21,22)20-4-2-3-19(5-6-20)13-9-12(17-14(16)18-13)10-7-11(15)8-10/h9-11H,2-8,15H2,1H3,(H2,16,17,18)
InChIKeyNUHKREWKIZIDLK-UHFFFAOYSA-N
MW340.45 g/mol
LogP-0.26
Rot. Bonds3

About 4-(3-aminocyclobutyl)-6-(4-methylsulfonyl-1,4-diazepan-1-yl)pyrimidin-2-amine

4-(3-aminocyclobutyl)-6-(4-methylsulfonyl-1,4-diazepan-1-yl)pyrimidin-2-amine (PubChem CID 91798018) has the molecular formula C14H24N6O2S and a molecular weight of 340.45 g/mol. Its IUPAC name is 4-(3-aminocyclobutyl)-6-(4-methylsulfonyl-1,4-diazepan-1-yl)pyrimidin-2-amine.

Molecular Properties

Compound Name4-(3-aminocyclobutyl)-6-(4-methylsulfonyl-1,4-diazepan-1-yl)pyrimidin-2-amine
PubChem CID91798018
Molecular FormulaC14H24N6O2S
Molecular Weight340.45 g/mol
Exact Mass340.17
IUPAC Name4-(3-aminocyclobutyl)-6-(4-methylsulfonyl-1,4-diazepan-1-yl)pyrimidin-2-amine
SMILESCS(=O)(=O)N1CCCN(c2cc(C3CC(N)C3)nc(N)n2)CC1
InChIInChI=1S/C14H24N6O2S/c1-23(21,22)20-4-2-3-19(5-6-20)13-9-12(17-14(16)18-13)10-7-11(15)8-10/h9-11H,2-8,15H2,1H3,(H2,16,17,18)
InChIKeyNUHKREWKIZIDLK-UHFFFAOYSA-N
XLogP-0.26
TPSA118.44 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500340.45
LogP ≤ 5-0.26
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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Related Compounds

3-[2-amino-6-(4-methylsulfonyl-1,4-diazepan-1-yl)pyrimidin-4-yl]cyclobutan-1-ol
CID 91763301
6-(4-methylsulfonylpiperazin-1-yl)pyrimidine-2,4-diamine
CID 78982341
4-(3-aminocyclobutyl)-6-[4-(methylsulfanylmethyl)piperidin-1-yl]pyrimidin-2-amine
CID 91772177
[1-[2-amino-6-(3-aminocyclobutyl)pyrimidin-4-yl]piperidin-4-yl]-piperidin-1-ylmethanone
CID 91787107
4-cyclopentyl-6-(4-methylpiperazin-1-yl)pyrimidin-2-amine
CID 159078071
1-(6-cyclobutylpyrimidin-4-yl)-4-methylsulfonyl-1,4-diazepane
CID 165435367
4-(3-aminocyclobutyl)-6-[4-(2-pyrrolidin-1-ylethyl)piperidin-1-yl]pyrimidin-2-amine
CID 91788988
4-(3-aminocyclobutyl)-6-[4-(4-methoxyphenoxy)piperidin-1-yl]pyrimidin-2-amine
CID 91772222
[4-[2-amino-6-(3-aminocyclobutyl)pyrimidin-4-yl]piperazin-1-yl]-(1H-1,2,4-triazol-5-yl)methanone
CID 91786602
4-(3-aminocyclobutyl)-6-[4-(4-methoxyphenyl)-3,3-dimethylpiperazin-1-yl]pyrimidin-2-amine;dihydrochloride
CID 154901742
4-(3-aminocyclobutyl)-6-[4-[(3-chlorophenyl)methyl]piperazin-1-yl]pyrimidin-2-amine;dihydrochloride
CID 154902813
4-[6-(3-aminocyclobutyl)-2-(methoxymethyl)pyrimidin-4-yl]-N,N-dimethylpiperazine-1-sulfonamide;dihydrochloride
CID 154902331

Frequently Asked Questions

What is the IUPAC name of 4-(3-aminocyclobutyl)-6-(4-methylsulfonyl-1,4-diazepan-1-yl)pyrimidin-2-amine?
The IUPAC name of 4-(3-aminocyclobutyl)-6-(4-methylsulfonyl-1,4-diazepan-1-yl)pyrimidin-2-amine (CID 91798018) is 4-(3-aminocyclobutyl)-6-(4-methylsulfonyl-1,4-diazepan-1-yl)pyrimidin-2-amine.
What is the SMILES notation for 4-(3-aminocyclobutyl)-6-(4-methylsulfonyl-1,4-diazepan-1-yl)pyrimidin-2-amine?
The canonical SMILES for 4-(3-aminocyclobutyl)-6-(4-methylsulfonyl-1,4-diazepan-1-yl)pyrimidin-2-amine is CS(=O)(=O)N1CCCN(c2cc(C3CC(N)C3)nc(N)n2)CC1.
What is the InChIKey of 4-(3-aminocyclobutyl)-6-(4-methylsulfonyl-1,4-diazepan-1-yl)pyrimidin-2-amine?
The InChIKey is NUHKREWKIZIDLK-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H24N6O2S/c1-23(21,22)20-4-2-3-19(5-6-20)13-9-12(17-14(16)18-13)10-7-11(15)8-10/h9-11H,2-8,15H2,1H3,(H2,16,17,18).
What are the key properties of 4-(3-aminocyclobutyl)-6-(4-methylsulfonyl-1,4-diazepan-1-yl)pyrimidin-2-amine?
4-(3-aminocyclobutyl)-6-(4-methylsulfonyl-1,4-diazepan-1-yl)pyrimidin-2-amine has a molecular weight of 340.45 g/mol, XLogP of -0.26, 3 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(3-aminocyclobutyl)-6-(4-methylsulfonyl-1,4-diazepan-1-yl)pyrimidin-2-amine is sourced from PubChem (CID 91798018), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).