4-(3-methylbutylsulfanyl)-N-propylpyrimidin-2-amine

C12H21N3S — CID 107766037

IUPAC4-(3-methylbutylsulfanyl)-N-propylpyrimidin-2-amine
SMILESCCCNc1nccc(SCCC(C)C)n1
InChIInChI=1S/C12H21N3S/c1-4-7-13-12-14-8-5-11(15-12)16-9-6-10(2)3/h5,8,10H,4,6-7,9H2,1-3H3,(H,13,14,15)
InChIKeyQOMFSTISXKKTNN-UHFFFAOYSA-N
MW239.39 g/mol
LogP3.44
Rot. Bonds7

About 4-(3-methylbutylsulfanyl)-N-propylpyrimidin-2-amine

4-(3-methylbutylsulfanyl)-N-propylpyrimidin-2-amine (PubChem CID 107766037) has the molecular formula C12H21N3S and a molecular weight of 239.39 g/mol. Its IUPAC name is 4-(3-methylbutylsulfanyl)-N-propylpyrimidin-2-amine.

Molecular Properties

Compound Name4-(3-methylbutylsulfanyl)-N-propylpyrimidin-2-amine
PubChem CID107766037
Molecular FormulaC12H21N3S
Molecular Weight239.39 g/mol
Exact Mass239.15
IUPAC Name4-(3-methylbutylsulfanyl)-N-propylpyrimidin-2-amine
SMILESCCCNc1nccc(SCCC(C)C)n1
InChIInChI=1S/C12H21N3S/c1-4-7-13-12-14-8-5-11(15-12)16-9-6-10(2)3/h5,8,10H,4,6-7,9H2,1-3H3,(H,13,14,15)
InChIKeyQOMFSTISXKKTNN-UHFFFAOYSA-N
XLogP3.44
TPSA37.81 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500239.39
LogP ≤ 53.44
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

4-butylsulfanyl-N-propylpyrimidin-2-amine
CID 80884560
3-[2-(propylamino)pyrimidin-4-yl]sulfanylpropan-1-ol
CID 80890566
4-propan-2-ylsulfanyl-N-propylpyrimidin-2-amine
CID 80886291
4-methyl-6-(3-methylbutylsulfanyl)-N-propylpyrimidin-2-amine
CID 107765913
6-(3-methylbutylsulfanyl)-N-propylpyridin-2-amine
CID 107765885
4-(4-chlorophenyl)sulfanyl-N-propylpyrimidin-2-amine
CID 80888094
4-(furan-2-ylmethylsulfanyl)-N-propylpyrimidin-2-amine
CID 80893880
4-naphthalen-2-ylsulfanyl-N-propylpyrimidin-2-amine
CID 80873237
4-(3,4-dichlorophenyl)sulfanyl-N-propylpyrimidin-2-amine
CID 80891234
4-(3-methylbutylsulfanyl)-N-propylquinazolin-2-amine
CID 107765966
6-(3-methylbutylsulfanyl)-2-propan-2-yl-N-propylpyrimidin-4-amine
CID 107766055
4-propan-2-yloxy-N-propylpyrimidin-2-amine
CID 80860726

Frequently Asked Questions

What is the IUPAC name of 4-(3-methylbutylsulfanyl)-N-propylpyrimidin-2-amine?
The IUPAC name of 4-(3-methylbutylsulfanyl)-N-propylpyrimidin-2-amine (CID 107766037) is 4-(3-methylbutylsulfanyl)-N-propylpyrimidin-2-amine.
What is the SMILES notation for 4-(3-methylbutylsulfanyl)-N-propylpyrimidin-2-amine?
The canonical SMILES for 4-(3-methylbutylsulfanyl)-N-propylpyrimidin-2-amine is CCCNc1nccc(SCCC(C)C)n1.
What is the InChIKey of 4-(3-methylbutylsulfanyl)-N-propylpyrimidin-2-amine?
The InChIKey is QOMFSTISXKKTNN-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H21N3S/c1-4-7-13-12-14-8-5-11(15-12)16-9-6-10(2)3/h5,8,10H,4,6-7,9H2,1-3H3,(H,13,14,15).
What are the key properties of 4-(3-methylbutylsulfanyl)-N-propylpyrimidin-2-amine?
4-(3-methylbutylsulfanyl)-N-propylpyrimidin-2-amine has a molecular weight of 239.39 g/mol, XLogP of 3.44, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(3-methylbutylsulfanyl)-N-propylpyrimidin-2-amine is sourced from PubChem (CID 107766037), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).