5-[[methyl-[(5-methylthiophen-2-yl)methyl]amino]methyl]-N-[[(2R)-oxolan-2-yl]methyl]pyrimidin-2-amine

C17H24N4OS — CID 99954992

IUPAC5-[[methyl-[(5-methylthiophen-2-yl)methyl]amino]methyl]-N-[[(2R)-oxolan-2-yl]methyl]pyrimidin-2-amine
SMILESCc1ccc(CN(C)Cc2cnc(NC[C@H]3CCCO3)nc2)s1
InChIInChI=1S/C17H24N4OS/c1-13-5-6-16(23-13)12-21(2)11-14-8-18-17(19-9-14)20-10-15-4-3-7-22-15/h5-6,8-9,15H,3-4,7,10-12H2,1-2H3,(H,18,19,20)/t15-/m1/s1
InChIKeyJPCOPDAARYWGNL-OAHLLOKOSA-N
MW332.47 g/mol
LogP3.07
Rot. Bonds7

About 5-[[methyl-[(5-methylthiophen-2-yl)methyl]amino]methyl]-N-[[(2R)-oxolan-2-yl]methyl]pyrimidin-2-amine

5-[[methyl-[(5-methylthiophen-2-yl)methyl]amino]methyl]-N-[[(2R)-oxolan-2-yl]methyl]pyrimidin-2-amine (PubChem CID 99954992) has the molecular formula C17H24N4OS and a molecular weight of 332.47 g/mol. Its IUPAC name is 5-[[methyl-[(5-methylthiophen-2-yl)methyl]amino]methyl]-N-[[(2R)-oxolan-2-yl]methyl]pyrimidin-2-amine.

Molecular Properties

Compound Name5-[[methyl-[(5-methylthiophen-2-yl)methyl]amino]methyl]-N-[[(2R)-oxolan-2-yl]methyl]pyrimidin-2-amine
PubChem CID99954992
Molecular FormulaC17H24N4OS
Molecular Weight332.47 g/mol
Exact Mass332.17
IUPAC Name5-[[methyl-[(5-methylthiophen-2-yl)methyl]amino]methyl]-N-[[(2R)-oxolan-2-yl]methyl]pyrimidin-2-amine
SMILESCc1ccc(CN(C)Cc2cnc(NC[C@H]3CCCO3)nc2)s1
InChIInChI=1S/C17H24N4OS/c1-13-5-6-16(23-13)12-21(2)11-14-8-18-17(19-9-14)20-10-15-4-3-7-22-15/h5-6,8-9,15H,3-4,7,10-12H2,1-2H3,(H,18,19,20)/t15-/m1/s1
InChIKeyJPCOPDAARYWGNL-OAHLLOKOSA-N
XLogP3.07
TPSA50.28 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500332.47
LogP ≤ 53.07
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze 5-[[methyl-[(5-methylthiophen-2-yl)methyl]amino]methyl]-N-[[(2R)-oxolan-2-yl]methyl]pyrimidin-2-amine with MolForge

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Related Compounds

5-[[methyl-[(5-methyl-1,3,4-oxadiazol-2-yl)methyl]amino]methyl]-N-(oxolan-2-ylmethyl)pyrimidin-2-amine
CID 77096682
5-[[methyl-[(3-methyl-1,2-oxazol-5-yl)methyl]amino]methyl]-N-[[(2R)-oxolan-2-yl]methyl]pyrimidin-2-amine
CID 99930888
5-[[2,1,3-benzothiadiazol-5-ylmethyl(methyl)amino]methyl]-N-[[(2S)-oxolan-2-yl]methyl]pyrimidin-2-amine
CID 99937942
5-[[2,1,3-benzothiadiazol-5-ylmethyl(methyl)amino]methyl]-N-[[(2R)-oxolan-2-yl]methyl]pyrimidin-2-amine
CID 99937943
5-[[methyl(pyrazin-2-ylmethyl)amino]methyl]-N-(oxolan-2-ylmethyl)pyrimidin-2-amine
CID 77083663
5-[[methyl(oxan-4-ylmethyl)amino]methyl]-N-[[(2S)-oxolan-2-yl]methyl]pyrimidin-2-amine
CID 99936239
5-[[2,3-dihydro-1H-inden-2-yl(methyl)amino]methyl]-N-[[(2R)-oxolan-2-yl]methyl]pyrimidin-2-amine
CID 99943881
5-[[2-(azepan-1-yl)ethyl-methylamino]methyl]-N-[[(2R)-oxolan-2-yl]methyl]pyrimidin-2-amine
CID 124679926
5-methyl-N-(oxolan-2-ylmethyl)pyridin-2-amine
CID 43104324
5-nitro-N-(oxolan-2-ylmethyl)pyrimidin-2-amine
CID 61145596
N-(oxolan-2-ylmethyl)-2-(oxolan-2-ylmethylamino)pyrimidine-5-carboxamide
CID 109252326
5-[(1-benzothiophen-5-ylmethylamino)methyl]-N-(oxolan-2-ylmethyl)pyrimidin-2-amine
CID 131898849

Frequently Asked Questions

What is the IUPAC name of 5-[[methyl-[(5-methylthiophen-2-yl)methyl]amino]methyl]-N-[[(2R)-oxolan-2-yl]methyl]pyrimidin-2-amine?
The IUPAC name of 5-[[methyl-[(5-methylthiophen-2-yl)methyl]amino]methyl]-N-[[(2R)-oxolan-2-yl]methyl]pyrimidin-2-amine (CID 99954992) is 5-[[methyl-[(5-methylthiophen-2-yl)methyl]amino]methyl]-N-[[(2R)-oxolan-2-yl]methyl]pyrimidin-2-amine.
What is the SMILES notation for 5-[[methyl-[(5-methylthiophen-2-yl)methyl]amino]methyl]-N-[[(2R)-oxolan-2-yl]methyl]pyrimidin-2-amine?
The canonical SMILES for 5-[[methyl-[(5-methylthiophen-2-yl)methyl]amino]methyl]-N-[[(2R)-oxolan-2-yl]methyl]pyrimidin-2-amine is Cc1ccc(CN(C)Cc2cnc(NC[C@H]3CCCO3)nc2)s1.
What is the InChIKey of 5-[[methyl-[(5-methylthiophen-2-yl)methyl]amino]methyl]-N-[[(2R)-oxolan-2-yl]methyl]pyrimidin-2-amine?
The InChIKey is JPCOPDAARYWGNL-OAHLLOKOSA-N. The full InChI is InChI=1S/C17H24N4OS/c1-13-5-6-16(23-13)12-21(2)11-14-8-18-17(19-9-14)20-10-15-4-3-7-22-15/h5-6,8-9,15H,3-4,7,10-12H2,1-2H3,(H,18,19,20)/t15-/m1/s1.
What are the key properties of 5-[[methyl-[(5-methylthiophen-2-yl)methyl]amino]methyl]-N-[[(2R)-oxolan-2-yl]methyl]pyrimidin-2-amine?
5-[[methyl-[(5-methylthiophen-2-yl)methyl]amino]methyl]-N-[[(2R)-oxolan-2-yl]methyl]pyrimidin-2-amine has a molecular weight of 332.47 g/mol, XLogP of 3.07, 7 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[[methyl-[(5-methylthiophen-2-yl)methyl]amino]methyl]-N-[[(2R)-oxolan-2-yl]methyl]pyrimidin-2-amine is sourced from PubChem (CID 99954992), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).