4-(3-aminocyclobutyl)-6-[4-(methylsulfanylmethyl)piperidin-1-yl]pyrimidin-2-amine

C15H25N5S — CID 91772177

IUPAC4-(3-aminocyclobutyl)-6-[4-(methylsulfanylmethyl)piperidin-1-yl]pyrimidin-2-amine
SMILESCSCC1CCN(c2cc(C3CC(N)C3)nc(N)n2)CC1
InChIInChI=1S/C15H25N5S/c1-21-9-10-2-4-20(5-3-10)14-8-13(18-15(17)19-14)11-6-12(16)7-11/h8,10-12H,2-7,9,16H2,1H3,(H2,17,18,19)
InChIKeyXFWKNUYIRBVNSM-UHFFFAOYSA-N
MW307.47 g/mol
LogP1.84
Rot. Bonds4

About 4-(3-aminocyclobutyl)-6-[4-(methylsulfanylmethyl)piperidin-1-yl]pyrimidin-2-amine

4-(3-aminocyclobutyl)-6-[4-(methylsulfanylmethyl)piperidin-1-yl]pyrimidin-2-amine (PubChem CID 91772177) has the molecular formula C15H25N5S and a molecular weight of 307.47 g/mol. Its IUPAC name is 4-(3-aminocyclobutyl)-6-[4-(methylsulfanylmethyl)piperidin-1-yl]pyrimidin-2-amine.

Molecular Properties

Compound Name4-(3-aminocyclobutyl)-6-[4-(methylsulfanylmethyl)piperidin-1-yl]pyrimidin-2-amine
PubChem CID91772177
Molecular FormulaC15H25N5S
Molecular Weight307.47 g/mol
Exact Mass307.18
IUPAC Name4-(3-aminocyclobutyl)-6-[4-(methylsulfanylmethyl)piperidin-1-yl]pyrimidin-2-amine
SMILESCSCC1CCN(c2cc(C3CC(N)C3)nc(N)n2)CC1
InChIInChI=1S/C15H25N5S/c1-21-9-10-2-4-20(5-3-10)14-8-13(18-15(17)19-14)11-6-12(16)7-11/h8,10-12H,2-7,9,16H2,1H3,(H2,17,18,19)
InChIKeyXFWKNUYIRBVNSM-UHFFFAOYSA-N
XLogP1.84
TPSA81.06 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500307.47
LogP ≤ 51.84
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 4-(3-aminocyclobutyl)-6-[4-(methylsulfanylmethyl)piperidin-1-yl]pyrimidin-2-amine?
The IUPAC name of 4-(3-aminocyclobutyl)-6-[4-(methylsulfanylmethyl)piperidin-1-yl]pyrimidin-2-amine (CID 91772177) is 4-(3-aminocyclobutyl)-6-[4-(methylsulfanylmethyl)piperidin-1-yl]pyrimidin-2-amine.
What is the SMILES notation for 4-(3-aminocyclobutyl)-6-[4-(methylsulfanylmethyl)piperidin-1-yl]pyrimidin-2-amine?
The canonical SMILES for 4-(3-aminocyclobutyl)-6-[4-(methylsulfanylmethyl)piperidin-1-yl]pyrimidin-2-amine is CSCC1CCN(c2cc(C3CC(N)C3)nc(N)n2)CC1.
What is the InChIKey of 4-(3-aminocyclobutyl)-6-[4-(methylsulfanylmethyl)piperidin-1-yl]pyrimidin-2-amine?
The InChIKey is XFWKNUYIRBVNSM-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H25N5S/c1-21-9-10-2-4-20(5-3-10)14-8-13(18-15(17)19-14)11-6-12(16)7-11/h8,10-12H,2-7,9,16H2,1H3,(H2,17,18,19).
What are the key properties of 4-(3-aminocyclobutyl)-6-[4-(methylsulfanylmethyl)piperidin-1-yl]pyrimidin-2-amine?
4-(3-aminocyclobutyl)-6-[4-(methylsulfanylmethyl)piperidin-1-yl]pyrimidin-2-amine has a molecular weight of 307.47 g/mol, XLogP of 1.84, 4 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(3-aminocyclobutyl)-6-[4-(methylsulfanylmethyl)piperidin-1-yl]pyrimidin-2-amine is sourced from PubChem (CID 91772177), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).