N-[[4,6-dimethyl-2-(propan-2-ylsulfanylmethyl)pyrimidin-5-yl]methyl]propan-2-amine

C14H25N3S — CID 65134003

IUPACN-[[4,6-dimethyl-2-(propan-2-ylsulfanylmethyl)pyrimidin-5-yl]methyl]propan-2-amine
SMILESCc1nc(CSC(C)C)nc(C)c1CNC(C)C
InChIInChI=1S/C14H25N3S/c1-9(2)15-7-13-11(5)16-14(17-12(13)6)8-18-10(3)4/h9-10,15H,7-8H2,1-6H3
InChIKeyFHRBQEBBZANQDK-UHFFFAOYSA-N
MW267.44 g/mol
LogP3.23
Rot. Bonds6

About N-[[4,6-dimethyl-2-(propan-2-ylsulfanylmethyl)pyrimidin-5-yl]methyl]propan-2-amine

N-[[4,6-dimethyl-2-(propan-2-ylsulfanylmethyl)pyrimidin-5-yl]methyl]propan-2-amine (PubChem CID 65134003) has the molecular formula C14H25N3S and a molecular weight of 267.44 g/mol. Its IUPAC name is N-[[4,6-dimethyl-2-(propan-2-ylsulfanylmethyl)pyrimidin-5-yl]methyl]propan-2-amine.

Molecular Properties

Compound NameN-[[4,6-dimethyl-2-(propan-2-ylsulfanylmethyl)pyrimidin-5-yl]methyl]propan-2-amine
PubChem CID65134003
Molecular FormulaC14H25N3S
Molecular Weight267.44 g/mol
Exact Mass267.18
IUPAC NameN-[[4,6-dimethyl-2-(propan-2-ylsulfanylmethyl)pyrimidin-5-yl]methyl]propan-2-amine
SMILESCc1nc(CSC(C)C)nc(C)c1CNC(C)C
InChIInChI=1S/C14H25N3S/c1-9(2)15-7-13-11(5)16-14(17-12(13)6)8-18-10(3)4/h9-10,15H,7-8H2,1-6H3
InChIKeyFHRBQEBBZANQDK-UHFFFAOYSA-N
XLogP3.23
TPSA37.81 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500267.44
LogP ≤ 53.23
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-[[4,6-dimethyl-2-(propan-2-ylsulfanylmethyl)pyrimidin-5-yl]methyl]propan-2-amine?
The IUPAC name of N-[[4,6-dimethyl-2-(propan-2-ylsulfanylmethyl)pyrimidin-5-yl]methyl]propan-2-amine (CID 65134003) is N-[[4,6-dimethyl-2-(propan-2-ylsulfanylmethyl)pyrimidin-5-yl]methyl]propan-2-amine.
What is the SMILES notation for N-[[4,6-dimethyl-2-(propan-2-ylsulfanylmethyl)pyrimidin-5-yl]methyl]propan-2-amine?
The canonical SMILES for N-[[4,6-dimethyl-2-(propan-2-ylsulfanylmethyl)pyrimidin-5-yl]methyl]propan-2-amine is Cc1nc(CSC(C)C)nc(C)c1CNC(C)C.
What is the InChIKey of N-[[4,6-dimethyl-2-(propan-2-ylsulfanylmethyl)pyrimidin-5-yl]methyl]propan-2-amine?
The InChIKey is FHRBQEBBZANQDK-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H25N3S/c1-9(2)15-7-13-11(5)16-14(17-12(13)6)8-18-10(3)4/h9-10,15H,7-8H2,1-6H3.
What are the key properties of N-[[4,6-dimethyl-2-(propan-2-ylsulfanylmethyl)pyrimidin-5-yl]methyl]propan-2-amine?
N-[[4,6-dimethyl-2-(propan-2-ylsulfanylmethyl)pyrimidin-5-yl]methyl]propan-2-amine has a molecular weight of 267.44 g/mol, XLogP of 3.23, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[4,6-dimethyl-2-(propan-2-ylsulfanylmethyl)pyrimidin-5-yl]methyl]propan-2-amine is sourced from PubChem (CID 65134003), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).