N-[2-[4,6-dimethyl-2-(methylsulfonylmethyl)pyrimidin-5-yl]propyl]-2-methylpropan-1-amine

C15H27N3O2S — CID 62756016

IUPACN-[2-[4,6-dimethyl-2-(methylsulfonylmethyl)pyrimidin-5-yl]propyl]-2-methylpropan-1-amine
SMILESCc1nc(CS(C)(=O)=O)nc(C)c1C(C)CNCC(C)C
InChIInChI=1S/C15H27N3O2S/c1-10(2)7-16-8-11(3)15-12(4)17-14(18-13(15)5)9-21(6,19)20/h10-11,16H,7-9H2,1-6H3
InChIKeyVUPCUHUSGWJWAU-UHFFFAOYSA-N
MW313.47 g/mol
LogP1.99
Rot. Bonds7

About N-[2-[4,6-dimethyl-2-(methylsulfonylmethyl)pyrimidin-5-yl]propyl]-2-methylpropan-1-amine

N-[2-[4,6-dimethyl-2-(methylsulfonylmethyl)pyrimidin-5-yl]propyl]-2-methylpropan-1-amine (PubChem CID 62756016) has the molecular formula C15H27N3O2S and a molecular weight of 313.47 g/mol. Its IUPAC name is N-[2-[4,6-dimethyl-2-(methylsulfonylmethyl)pyrimidin-5-yl]propyl]-2-methylpropan-1-amine.

Molecular Properties

Compound NameN-[2-[4,6-dimethyl-2-(methylsulfonylmethyl)pyrimidin-5-yl]propyl]-2-methylpropan-1-amine
PubChem CID62756016
Molecular FormulaC15H27N3O2S
Molecular Weight313.47 g/mol
Exact Mass313.18
IUPAC NameN-[2-[4,6-dimethyl-2-(methylsulfonylmethyl)pyrimidin-5-yl]propyl]-2-methylpropan-1-amine
SMILESCc1nc(CS(C)(=O)=O)nc(C)c1C(C)CNCC(C)C
InChIInChI=1S/C15H27N3O2S/c1-10(2)7-16-8-11(3)15-12(4)17-14(18-13(15)5)9-21(6,19)20/h10-11,16H,7-9H2,1-6H3
InChIKeyVUPCUHUSGWJWAU-UHFFFAOYSA-N
XLogP1.99
TPSA71.95 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500313.47
LogP ≤ 51.99
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-methyl-2-(6,7,8,9-tetrahydro-5H-pyrimido[4,5-d]azepin-4-ylamino)ethanesulfonamide
CID 56895176
2-[4,6-dimethyl-2-(2,2,2-trifluoroethyl)pyrimidin-5-yl]-N-ethylpropan-1-amine
CID 55136170
2-[4,6-dimethyl-2-(2,2,2-trifluoroethyl)pyrimidin-5-yl]-N-methylpropan-1-amine
CID 62756188
2-[4,6-dimethyl-2-(2,2,2-trifluoroethyl)pyrimidin-5-yl]-N-propylpropan-1-amine
CID 62756192
N-[2-[4,6-dimethyl-2-(2,2,2-trifluoroethyl)pyrimidin-5-yl]propyl]-2-methylpropan-1-amine
CID 62756932
2-[4,6-dimethyl-2-(3,3,3-trifluoropropyl)pyrimidin-5-yl]-N-propylpropan-1-amine
CID 79959528
2-[4,6-dimethyl-2-(3,3,3-trifluoropropyl)pyrimidin-5-yl]-N-methylpropan-1-amine
CID 79965037
2-[4,6-dimethyl-2-(3,3,3-trifluoropropyl)pyrimidin-5-yl]-N-ethylpropan-1-amine
CID 79965123
2-(Methylsulfonylmethyl)-4-(trifluoromethyl)-5,6,7,8-tetrahydropyrido[4,3-d]pyrimidine
CID 114737952
2-(1-Methylsulfonylethyl)-4-(trifluoromethyl)-5,6,7,8-tetrahydropyrido[4,3-d]pyrimidine
CID 114738021
2-(methylsulfonylmethyl)-4-(trifluoromethyl)-6,7-dihydro-5H-pyrrolo[3,4-d]pyrimidine
CID 114739941
2-(1-methylsulfonylethyl)-4-(trifluoromethyl)-6,7-dihydro-5H-pyrrolo[3,4-d]pyrimidine
CID 114739979

Frequently Asked Questions

What is the IUPAC name of N-[2-[4,6-dimethyl-2-(methylsulfonylmethyl)pyrimidin-5-yl]propyl]-2-methylpropan-1-amine?
The IUPAC name of N-[2-[4,6-dimethyl-2-(methylsulfonylmethyl)pyrimidin-5-yl]propyl]-2-methylpropan-1-amine (CID 62756016) is N-[2-[4,6-dimethyl-2-(methylsulfonylmethyl)pyrimidin-5-yl]propyl]-2-methylpropan-1-amine.
What is the SMILES notation for N-[2-[4,6-dimethyl-2-(methylsulfonylmethyl)pyrimidin-5-yl]propyl]-2-methylpropan-1-amine?
The canonical SMILES for N-[2-[4,6-dimethyl-2-(methylsulfonylmethyl)pyrimidin-5-yl]propyl]-2-methylpropan-1-amine is Cc1nc(CS(C)(=O)=O)nc(C)c1C(C)CNCC(C)C.
What is the InChIKey of N-[2-[4,6-dimethyl-2-(methylsulfonylmethyl)pyrimidin-5-yl]propyl]-2-methylpropan-1-amine?
The InChIKey is VUPCUHUSGWJWAU-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H27N3O2S/c1-10(2)7-16-8-11(3)15-12(4)17-14(18-13(15)5)9-21(6,19)20/h10-11,16H,7-9H2,1-6H3.
What are the key properties of N-[2-[4,6-dimethyl-2-(methylsulfonylmethyl)pyrimidin-5-yl]propyl]-2-methylpropan-1-amine?
N-[2-[4,6-dimethyl-2-(methylsulfonylmethyl)pyrimidin-5-yl]propyl]-2-methylpropan-1-amine has a molecular weight of 313.47 g/mol, XLogP of 1.99, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[4,6-dimethyl-2-(methylsulfonylmethyl)pyrimidin-5-yl]propyl]-2-methylpropan-1-amine is sourced from PubChem (CID 62756016), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).