5-methoxy-2-methyl-N-[(3S)-1-methylsulfanylheptan-3-yl]pyrimidin-4-amine

C14H25N3OS — CID 126699792

IUPAC5-methoxy-2-methyl-N-[(3S)-1-methylsulfanylheptan-3-yl]pyrimidin-4-amine
SMILESCCCC[C@@H](CCSC)Nc1nc(C)ncc1OC
InChIInChI=1S/C14H25N3OS/c1-5-6-7-12(8-9-19-4)17-14-13(18-3)10-15-11(2)16-14/h10,12H,5-9H2,1-4H3,(H,15,16,17)/t12-/m0/s1
InChIKeyOCWCXGMDVGLSDM-LBPRGKRZSA-N
MW283.44 g/mol
LogP3.52
Rot. Bonds9

About 5-methoxy-2-methyl-N-[(3S)-1-methylsulfanylheptan-3-yl]pyrimidin-4-amine

5-methoxy-2-methyl-N-[(3S)-1-methylsulfanylheptan-3-yl]pyrimidin-4-amine (PubChem CID 126699792) has the molecular formula C14H25N3OS and a molecular weight of 283.44 g/mol. Its IUPAC name is 5-methoxy-2-methyl-N-[(3S)-1-methylsulfanylheptan-3-yl]pyrimidin-4-amine.

Molecular Properties

Compound Name5-methoxy-2-methyl-N-[(3S)-1-methylsulfanylheptan-3-yl]pyrimidin-4-amine
PubChem CID126699792
Molecular FormulaC14H25N3OS
Molecular Weight283.44 g/mol
Exact Mass283.17
IUPAC Name5-methoxy-2-methyl-N-[(3S)-1-methylsulfanylheptan-3-yl]pyrimidin-4-amine
SMILESCCCC[C@@H](CCSC)Nc1nc(C)ncc1OC
InChIInChI=1S/C14H25N3OS/c1-5-6-7-12(8-9-19-4)17-14-13(18-3)10-15-11(2)16-14/h10,12H,5-9H2,1-4H3,(H,15,16,17)/t12-/m0/s1
InChIKeyOCWCXGMDVGLSDM-LBPRGKRZSA-N
XLogP3.52
TPSA47.04 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds9
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500283.44
LogP ≤ 53.52
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 5-methoxy-2-methyl-N-[(3S)-1-methylsulfanylheptan-3-yl]pyrimidin-4-amine?
The IUPAC name of 5-methoxy-2-methyl-N-[(3S)-1-methylsulfanylheptan-3-yl]pyrimidin-4-amine (CID 126699792) is 5-methoxy-2-methyl-N-[(3S)-1-methylsulfanylheptan-3-yl]pyrimidin-4-amine.
What is the SMILES notation for 5-methoxy-2-methyl-N-[(3S)-1-methylsulfanylheptan-3-yl]pyrimidin-4-amine?
The canonical SMILES for 5-methoxy-2-methyl-N-[(3S)-1-methylsulfanylheptan-3-yl]pyrimidin-4-amine is CCCC[C@@H](CCSC)Nc1nc(C)ncc1OC.
What is the InChIKey of 5-methoxy-2-methyl-N-[(3S)-1-methylsulfanylheptan-3-yl]pyrimidin-4-amine?
The InChIKey is OCWCXGMDVGLSDM-LBPRGKRZSA-N. The full InChI is InChI=1S/C14H25N3OS/c1-5-6-7-12(8-9-19-4)17-14-13(18-3)10-15-11(2)16-14/h10,12H,5-9H2,1-4H3,(H,15,16,17)/t12-/m0/s1.
What are the key properties of 5-methoxy-2-methyl-N-[(3S)-1-methylsulfanylheptan-3-yl]pyrimidin-4-amine?
5-methoxy-2-methyl-N-[(3S)-1-methylsulfanylheptan-3-yl]pyrimidin-4-amine has a molecular weight of 283.44 g/mol, XLogP of 3.52, 9 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-methoxy-2-methyl-N-[(3S)-1-methylsulfanylheptan-3-yl]pyrimidin-4-amine is sourced from PubChem (CID 126699792), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).