N-propyl-5-[(4,5,6-trimethylpyrimidin-2-yl)sulfanylmethyl]pyridin-2-amine

C16H22N4S — CID 65041419

IUPACN-propyl-5-[(4,5,6-trimethylpyrimidin-2-yl)sulfanylmethyl]pyridin-2-amine
SMILESCCCNc1ccc(CSc2nc(C)c(C)c(C)n2)cn1
InChIInChI=1S/C16H22N4S/c1-5-8-17-15-7-6-14(9-18-15)10-21-16-19-12(3)11(2)13(4)20-16/h6-7,9H,5,8,10H2,1-4H3,(H,17,18)
InChIKeyHIIUFKIOWSRGMI-UHFFFAOYSA-N
MW302.45 g/mol
LogP3.91
Rot. Bonds6

About N-propyl-5-[(4,5,6-trimethylpyrimidin-2-yl)sulfanylmethyl]pyridin-2-amine

N-propyl-5-[(4,5,6-trimethylpyrimidin-2-yl)sulfanylmethyl]pyridin-2-amine (PubChem CID 65041419) has the molecular formula C16H22N4S and a molecular weight of 302.45 g/mol. Its IUPAC name is N-propyl-5-[(4,5,6-trimethylpyrimidin-2-yl)sulfanylmethyl]pyridin-2-amine.

Molecular Properties

Compound NameN-propyl-5-[(4,5,6-trimethylpyrimidin-2-yl)sulfanylmethyl]pyridin-2-amine
PubChem CID65041419
Molecular FormulaC16H22N4S
Molecular Weight302.45 g/mol
Exact Mass302.16
IUPAC NameN-propyl-5-[(4,5,6-trimethylpyrimidin-2-yl)sulfanylmethyl]pyridin-2-amine
SMILESCCCNc1ccc(CSc2nc(C)c(C)c(C)n2)cn1
InChIInChI=1S/C16H22N4S/c1-5-8-17-15-7-6-14(9-18-15)10-21-16-19-12(3)11(2)13(4)20-16/h6-7,9H,5,8,10H2,1-4H3,(H,17,18)
InChIKeyHIIUFKIOWSRGMI-UHFFFAOYSA-N
XLogP3.91
TPSA50.70 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500302.45
LogP ≤ 53.91
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-propyl-5-[(4,5,6-trimethylpyrimidin-2-yl)sulfanylmethyl]pyridin-2-amine?
The IUPAC name of N-propyl-5-[(4,5,6-trimethylpyrimidin-2-yl)sulfanylmethyl]pyridin-2-amine (CID 65041419) is N-propyl-5-[(4,5,6-trimethylpyrimidin-2-yl)sulfanylmethyl]pyridin-2-amine.
What is the SMILES notation for N-propyl-5-[(4,5,6-trimethylpyrimidin-2-yl)sulfanylmethyl]pyridin-2-amine?
The canonical SMILES for N-propyl-5-[(4,5,6-trimethylpyrimidin-2-yl)sulfanylmethyl]pyridin-2-amine is CCCNc1ccc(CSc2nc(C)c(C)c(C)n2)cn1.
What is the InChIKey of N-propyl-5-[(4,5,6-trimethylpyrimidin-2-yl)sulfanylmethyl]pyridin-2-amine?
The InChIKey is HIIUFKIOWSRGMI-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H22N4S/c1-5-8-17-15-7-6-14(9-18-15)10-21-16-19-12(3)11(2)13(4)20-16/h6-7,9H,5,8,10H2,1-4H3,(H,17,18).
What are the key properties of N-propyl-5-[(4,5,6-trimethylpyrimidin-2-yl)sulfanylmethyl]pyridin-2-amine?
N-propyl-5-[(4,5,6-trimethylpyrimidin-2-yl)sulfanylmethyl]pyridin-2-amine has a molecular weight of 302.45 g/mol, XLogP of 3.91, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-propyl-5-[(4,5,6-trimethylpyrimidin-2-yl)sulfanylmethyl]pyridin-2-amine is sourced from PubChem (CID 65041419), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).