N-[1-[2-amino-6-(3-aminocyclobutyl)pyrimidin-4-yl]piperidin-4-yl]methanesulfonamide

C14H24N6O2S — CID 91777271

IUPACN-[1-[2-amino-6-(3-aminocyclobutyl)pyrimidin-4-yl]piperidin-4-yl]methanesulfonamide
SMILESCS(=O)(=O)NC1CCN(c2cc(C3CC(N)C3)nc(N)n2)CC1
InChIInChI=1S/C14H24N6O2S/c1-23(21,22)19-11-2-4-20(5-3-11)13-8-12(17-14(16)18-13)9-6-10(15)7-9/h8-11,19H,2-7,15H2,1H3,(H2,16,17,18)
InChIKeyISLKHLNMRPIQBV-UHFFFAOYSA-N
MW340.45 g/mol
LogP-0.22
Rot. Bonds4

About N-[1-[2-amino-6-(3-aminocyclobutyl)pyrimidin-4-yl]piperidin-4-yl]methanesulfonamide

N-[1-[2-amino-6-(3-aminocyclobutyl)pyrimidin-4-yl]piperidin-4-yl]methanesulfonamide (PubChem CID 91777271) has the molecular formula C14H24N6O2S and a molecular weight of 340.45 g/mol. Its IUPAC name is N-[1-[2-amino-6-(3-aminocyclobutyl)pyrimidin-4-yl]piperidin-4-yl]methanesulfonamide.

Molecular Properties

Compound NameN-[1-[2-amino-6-(3-aminocyclobutyl)pyrimidin-4-yl]piperidin-4-yl]methanesulfonamide
PubChem CID91777271
Molecular FormulaC14H24N6O2S
Molecular Weight340.45 g/mol
Exact Mass340.17
IUPAC NameN-[1-[2-amino-6-(3-aminocyclobutyl)pyrimidin-4-yl]piperidin-4-yl]methanesulfonamide
SMILESCS(=O)(=O)NC1CCN(c2cc(C3CC(N)C3)nc(N)n2)CC1
InChIInChI=1S/C14H24N6O2S/c1-23(21,22)19-11-2-4-20(5-3-11)13-8-12(17-14(16)18-13)9-6-10(15)7-9/h8-11,19H,2-7,15H2,1H3,(H2,16,17,18)
InChIKeyISLKHLNMRPIQBV-UHFFFAOYSA-N
XLogP-0.22
TPSA127.23 Ų
H-Bond Donors3
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500340.45
LogP ≤ 5-0.22
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 107

Analyze N-[1-[2-amino-6-(3-aminocyclobutyl)pyrimidin-4-yl]piperidin-4-yl]methanesulfonamide with MolForge

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Related Compounds

4-Cyclopentyl-6-(4-methylpiperazin-1-yl)pyrimidin-2-amine
CID 24797604
4-Cyclopentyl-6-(piperazin-1-yl)-pyrimidin-2-ylamine
CID 24798144
4-cyclobutyl-6-[(3R)-3-(methylamino)pyrrolidin-1-yl]pyrimidin-2-amine
CID 53257796
4-[(3R)-3-aminopiperidin-1-yl]-6-cyclopentylpyrimidin-2-amine
CID 24994630
4-(3-Methylbutyl)-6-(4-methylpiperazin-1-yl)pyrimidin-2-amine
CID 71551636
6-(trans-3-aminocyclobutyl)-N~4~-{2-[4-methyl-6-(trifluoromethyl)pyrimidin-2-yl]ethyl}pyrimidine-2,4-diamine
CID 91760808
4-N-cyclopentyl-6-piperidin-4-ylpyrimidine-2,4-diamine
CID 118720440
N-[1-(6-methyl-2-propan-2-ylpyrimidin-4-yl)piperidin-4-yl]methanesulfonamide
CID 40104034
N-(1,1-dioxothian-4-yl)-6-ethyl-2-piperidin-1-ylpyrimidin-4-amine
CID 50957838
N-(1,1-dioxidotetrahydro-3-thienyl)-6-ethyl-2-piperidin-1-ylpyrimidin-4-amine
CID 50964693
N-(1,1-dioxothian-4-yl)-2-methyl-6-piperidin-3-ylpyrimidin-4-amine
CID 56709106
N-ethyl-2-methyl-6-piperidin-4-yl-N-propylpyrimidin-4-amine
CID 56722629

Frequently Asked Questions

What is the IUPAC name of N-[1-[2-amino-6-(3-aminocyclobutyl)pyrimidin-4-yl]piperidin-4-yl]methanesulfonamide?
The IUPAC name of N-[1-[2-amino-6-(3-aminocyclobutyl)pyrimidin-4-yl]piperidin-4-yl]methanesulfonamide (CID 91777271) is N-[1-[2-amino-6-(3-aminocyclobutyl)pyrimidin-4-yl]piperidin-4-yl]methanesulfonamide.
What is the SMILES notation for N-[1-[2-amino-6-(3-aminocyclobutyl)pyrimidin-4-yl]piperidin-4-yl]methanesulfonamide?
The canonical SMILES for N-[1-[2-amino-6-(3-aminocyclobutyl)pyrimidin-4-yl]piperidin-4-yl]methanesulfonamide is CS(=O)(=O)NC1CCN(c2cc(C3CC(N)C3)nc(N)n2)CC1.
What is the InChIKey of N-[1-[2-amino-6-(3-aminocyclobutyl)pyrimidin-4-yl]piperidin-4-yl]methanesulfonamide?
The InChIKey is ISLKHLNMRPIQBV-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H24N6O2S/c1-23(21,22)19-11-2-4-20(5-3-11)13-8-12(17-14(16)18-13)9-6-10(15)7-9/h8-11,19H,2-7,15H2,1H3,(H2,16,17,18).
What are the key properties of N-[1-[2-amino-6-(3-aminocyclobutyl)pyrimidin-4-yl]piperidin-4-yl]methanesulfonamide?
N-[1-[2-amino-6-(3-aminocyclobutyl)pyrimidin-4-yl]piperidin-4-yl]methanesulfonamide has a molecular weight of 340.45 g/mol, XLogP of -0.22, 4 rotatable bonds, 3 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-[2-amino-6-(3-aminocyclobutyl)pyrimidin-4-yl]piperidin-4-yl]methanesulfonamide is sourced from PubChem (CID 91777271), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).