N-[(2-propan-2-yl-5-thiomorpholin-4-ylpyrimidin-4-yl)methyl]cyclopropanamine

C15H24N4S — CID 62278808

IUPACN-[(2-propan-2-yl-5-thiomorpholin-4-ylpyrimidin-4-yl)methyl]cyclopropanamine
SMILESCC(C)c1ncc(N2CCSCC2)c(CNC2CC2)n1
InChIInChI=1S/C15H24N4S/c1-11(2)15-17-10-14(19-5-7-20-8-6-19)13(18-15)9-16-12-3-4-12/h10-12,16H,3-9H2,1-2H3
InChIKeyZJKOWTAEKXONAD-UHFFFAOYSA-N
MW292.45 g/mol
LogP2.41
Rot. Bonds5

About N-[(2-propan-2-yl-5-thiomorpholin-4-ylpyrimidin-4-yl)methyl]cyclopropanamine

N-[(2-propan-2-yl-5-thiomorpholin-4-ylpyrimidin-4-yl)methyl]cyclopropanamine (PubChem CID 62278808) has the molecular formula C15H24N4S and a molecular weight of 292.45 g/mol. Its IUPAC name is N-[(2-propan-2-yl-5-thiomorpholin-4-ylpyrimidin-4-yl)methyl]cyclopropanamine.

Molecular Properties

Compound NameN-[(2-propan-2-yl-5-thiomorpholin-4-ylpyrimidin-4-yl)methyl]cyclopropanamine
PubChem CID62278808
Molecular FormulaC15H24N4S
Molecular Weight292.45 g/mol
Exact Mass292.17
IUPAC NameN-[(2-propan-2-yl-5-thiomorpholin-4-ylpyrimidin-4-yl)methyl]cyclopropanamine
SMILESCC(C)c1ncc(N2CCSCC2)c(CNC2CC2)n1
InChIInChI=1S/C15H24N4S/c1-11(2)15-17-10-14(19-5-7-20-8-6-19)13(18-15)9-16-12-3-4-12/h10-12,16H,3-9H2,1-2H3
InChIKeyZJKOWTAEKXONAD-UHFFFAOYSA-N
XLogP2.41
TPSA41.05 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500292.45
LogP ≤ 52.41
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-[(2-propan-2-yl-5-thiomorpholin-4-ylpyrimidin-4-yl)methyl]cyclopropanamine?
The IUPAC name of N-[(2-propan-2-yl-5-thiomorpholin-4-ylpyrimidin-4-yl)methyl]cyclopropanamine (CID 62278808) is N-[(2-propan-2-yl-5-thiomorpholin-4-ylpyrimidin-4-yl)methyl]cyclopropanamine.
What is the SMILES notation for N-[(2-propan-2-yl-5-thiomorpholin-4-ylpyrimidin-4-yl)methyl]cyclopropanamine?
The canonical SMILES for N-[(2-propan-2-yl-5-thiomorpholin-4-ylpyrimidin-4-yl)methyl]cyclopropanamine is CC(C)c1ncc(N2CCSCC2)c(CNC2CC2)n1.
What is the InChIKey of N-[(2-propan-2-yl-5-thiomorpholin-4-ylpyrimidin-4-yl)methyl]cyclopropanamine?
The InChIKey is ZJKOWTAEKXONAD-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H24N4S/c1-11(2)15-17-10-14(19-5-7-20-8-6-19)13(18-15)9-16-12-3-4-12/h10-12,16H,3-9H2,1-2H3.
What are the key properties of N-[(2-propan-2-yl-5-thiomorpholin-4-ylpyrimidin-4-yl)methyl]cyclopropanamine?
N-[(2-propan-2-yl-5-thiomorpholin-4-ylpyrimidin-4-yl)methyl]cyclopropanamine has a molecular weight of 292.45 g/mol, XLogP of 2.41, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2-propan-2-yl-5-thiomorpholin-4-ylpyrimidin-4-yl)methyl]cyclopropanamine is sourced from PubChem (CID 62278808), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).